RI01722051 | Pralsetinib,2TBDMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)=N2)CC1 | TBDMS | 761.4393 | Standard polar | 5971.6416 |
RI01722050 | Pralsetinib,2TBDMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 761.4393 | Standard polar | 5763.772 |
RI01722049 | Pralsetinib,2TBDMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 761.4393 | Standard polar | 5651.035 |
RI01722048 | Pralsetinib,1TBDMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=N[NH]C(C)=C3)=N2)CC1 | TBDMS | 647.3528 | Standard polar | 6608.694 |
RI01722047 | Pralsetinib,1TBDMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)=N2)CC1 | TBDMS | 647.3528 | Standard polar | 6398.5693 |
RI01722046 | Pralsetinib,1TBDMS,isomer#1 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 647.3528 | Standard polar | 6079.646 |
RI01722045 | Pralsetinib,3TMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C)C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 749.3849 | Standard polar | 5442.6924 |
RI01722044 | Pralsetinib,2TMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C)C(C)=C3)=N2)CC1 | TMS | 677.3454 | Standard polar | 6080.654 |
RI01722043 | Pralsetinib,2TMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C)C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 677.3454 | Standard polar | 5845.783 |
RI01722042 | Pralsetinib,2TMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 677.3454 | Standard polar | 5680.8477 |
RI01722041 | Pralsetinib,1TMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=N[NH]C(C)=C3)=N2)CC1 | TMS | 605.3058 | Standard polar | 6661.3916 |
RI01722040 | Pralsetinib,1TMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C)C(C)=C3)=N2)CC1 | TMS | 605.3058 | Standard polar | 6520.3086 |
RI01722039 | Pralsetinib,1TMS,isomer#1 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 605.3058 | Standard polar | 6128.332 |
RI01722038 | Pralsetinib,3TBDMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 875.5257 | Semi standard non polar | 4931.121 |
RI01722037 | Pralsetinib,2TBDMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)=N2)CC1 | TBDMS | 761.4393 | Semi standard non polar | 4939.3887 |
RI01722036 | Pralsetinib,2TBDMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 761.4393 | Semi standard non polar | 4833.168 |
RI01722035 | Pralsetinib,2TBDMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 761.4393 | Semi standard non polar | 4717.4624 |
RI01722034 | Pralsetinib,1TBDMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C(C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=N[NH]C(C)=C3)=N2)CC1 | TBDMS | 647.3528 | Semi standard non polar | 4854.855 |
RI01722033 | Pralsetinib,1TBDMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C(C)(C)C)C(C)=C3)=N2)CC1 | TBDMS | 647.3528 | Semi standard non polar | 4891.6704 |
RI01722032 | Pralsetinib,1TBDMS,isomer#1 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C(C)(C)C)=N2)CC1 | TBDMS | 647.3528 | Semi standard non polar | 4644.744 |
RI01722031 | Pralsetinib,3TMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C)C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 749.3849 | Semi standard non polar | 4470.415 |
RI01722030 | Pralsetinib,2TMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=NN([Si](C)(C)C)C(C)=C3)=N2)CC1 | TMS | 677.3454 | Semi standard non polar | 4664.251 |
RI01722029 | Pralsetinib,2TMS,isomer#2 | JsmolCO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)CC[C@@H](C2=NC(C)=CC(N(C3=NN([Si](C)(C)C)C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 677.3454 | Semi standard non polar | 4509.89 |
RI01722028 | Pralsetinib,2TMS,isomer#1 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(N(C3=N[NH]C(C)=C3)[Si](C)(C)C)=N2)CC1 | TMS | 677.3454 | Semi standard non polar | 4416.3574 |
RI01722027 | Pralsetinib,1TMS,isomer#3 | JsmolCO[C@]1(C(=O)N([C@@H](C)C2=CC=C(N3C=C(F)C=N3)N=C2)[Si](C)(C)C)CC[C@@H](C2=NC(C)=CC(NC3=N[NH]C(C)=C3)=N2)CC1 | TMS | 605.3058 | Semi standard non polar | 4702.6743 |