RI01721801 | Piflufolastat F 18 ,4TMS,isomer#7 | JsmolC[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)N([C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(=O)O)[Si](C)(C)C)[Si](C)(C)C | TMS | 729.3106 | Standard non polar | 3328.5444 |
RI01721800 | Piflufolastat F 18 ,4TMS,isomer#6 | JsmolC[Si](C)(C)OC(=O)CC[C@H](NC(=O)N([C@@H](CCCCN(C(=O)C1=CC=C([18F])N=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O | TMS | 729.3106 | Standard non polar | 3180.3777 |
RI01721799 | Piflufolastat F 18 ,4TMS,isomer#5 | JsmolC[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)N[C@@H](CCCCN(C(=O)C1=CC=C([18F])N=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 729.3106 | Standard non polar | 3188.3286 |
RI01721798 | Piflufolastat F 18 ,4TMS,isomer#4 | JsmolC[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)N([C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 729.3106 | Standard non polar | 3328.9763 |
RI01721797 | Piflufolastat F 18 ,4TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(C(=O)C1=CC=C([18F])N=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 729.3106 | Standard non polar | 3202.074 |
RI01721796 | Piflufolastat F 18 ,4TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)CC[C@H](NC(=O)N([C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 729.3106 | Standard non polar | 3202.8953 |
RI01721795 | Piflufolastat F 18 ,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)N[C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 729.3106 | Standard non polar | 3207.7634 |
RI01721794 | Mobocertinib,2TBDMS,isomer#1 | JsmolC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C(C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 813.4793 | Standard polar | 5613.7314 |
RI01721793 | Mobocertinib,1TBDMS,isomer#2 | JsmolC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 699.3928 | Standard polar | 6201.5474 |
RI01721792 | Mobocertinib,1TBDMS,isomer#1 | JsmolC=CC(=O)NC1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C(C)(C)C)=C(OC)C=C1N(C)CCN(C)C | TBDMS | 699.3928 | Standard polar | 6028.083 |
RI01721791 | Mobocertinib,2TMS,isomer#1 | JsmolC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C | TMS | 729.3854 | Standard polar | 5608.2246 |
RI01721790 | Mobocertinib,1TMS,isomer#2 | JsmolC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C | TMS | 657.3459 | Standard polar | 6218.474 |
RI01721789 | Mobocertinib,1TMS,isomer#1 | JsmolC=CC(=O)NC1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C | TMS | 657.3459 | Standard polar | 6062.0605 |
RI01721788 | Mobocertinib,2TBDMS,isomer#1 | JsmolC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C(C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 813.4793 | Semi standard non polar | 4651.168 |
RI01721787 | Mobocertinib,1TBDMS,isomer#2 | JsmolC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 699.3928 | Semi standard non polar | 4650.635 |
RI01721786 | Mobocertinib,1TBDMS,isomer#1 | JsmolC=CC(=O)NC1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C(C)(C)C)=C(OC)C=C1N(C)CCN(C)C | TBDMS | 699.3928 | Semi standard non polar | 4754.7065 |
RI01721785 | Mobocertinib,2TMS,isomer#1 | JsmolC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C | TMS | 729.3854 | Semi standard non polar | 4369.9443 |
RI01721784 | Mobocertinib,1TMS,isomer#2 | JsmolC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C | TMS | 657.3459 | Semi standard non polar | 4504.8633 |
RI01721783 | Mobocertinib,1TMS,isomer#1 | JsmolC=CC(=O)NC1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C | TMS | 657.3459 | Semi standard non polar | 4600.292 |
RI01721782 | Mobocertinib,2TBDMS,isomer#1 | JsmolC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C(C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 813.4793 | Standard non polar | 4251.7695 |
RI01721781 | Mobocertinib,1TBDMS,isomer#2 | JsmolC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 699.3928 | Standard non polar | 4230.045 |
RI01721780 | Mobocertinib,1TBDMS,isomer#1 | JsmolC=CC(=O)NC1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C(C)(C)C)=C(OC)C=C1N(C)CCN(C)C | TBDMS | 699.3928 | Standard non polar | 4357.137 |
RI01721779 | Mobocertinib,2TMS,isomer#1 | JsmolC=CC(=O)N(C1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C | TMS | 729.3854 | Standard non polar | 4017.9624 |
RI01721778 | Mobocertinib,1TMS,isomer#2 | JsmolC=CC(=O)N(C1=CC(NC2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)C)[Si](C)(C)C | TMS | 657.3459 | Standard non polar | 4101.3594 |
RI01721777 | Mobocertinib,1TMS,isomer#1 | JsmolC=CC(=O)NC1=CC(N(C2=NC=C(C(=O)OC(C)C)C(C3=CN(C)C4=CC=CC=C34)=N2)[Si](C)(C)C)=C(OC)C=C1N(C)CCN(C)C | TMS | 657.3459 | Standard non polar | 4237.066 |