RI01722501 | Encorafenib,1TMS,isomer#3 | JsmolCOC(=O)N[C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C)S(C)(=O)=O)=C2F)=N1 | TMS | 611.1913 | Semi standard non polar | 3988.9583 |
RI01722500 | Encorafenib,1TMS,isomer#2 | JsmolCOC(=O)N[C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C | TMS | 611.1913 | Semi standard non polar | 4132.046 |
RI01722499 | Encorafenib,1TMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C | TMS | 611.1913 | Semi standard non polar | 4103.0674 |
RI01722498 | Encorafenib,3TBDMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)=C2F)=N1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 881.4112 | Standard non polar | 5043.2812 |
RI01722497 | Encorafenib,2TBDMS,isomer#3 | JsmolCOC(=O)N[C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)=C2F)=N1)[Si](C)(C)C(C)(C)C | TBDMS | 767.3247 | Standard non polar | 4671.175 |
RI01722496 | Encorafenib,2TBDMS,isomer#2 | JsmolCOC(=O)N([C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)=C2F)=N1)[Si](C)(C)C(C)(C)C | TBDMS | 767.3247 | Standard non polar | 4635.6196 |
RI01722495 | Encorafenib,2TBDMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 767.3247 | Standard non polar | 4635.3804 |
RI01722494 | Encorafenib,1TBDMS,isomer#3 | JsmolCOC(=O)N[C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C(C)(C)C)S(C)(=O)=O)=C2F)=N1 | TBDMS | 653.2383 | Standard non polar | 4236.851 |
RI01722493 | Encorafenib,1TBDMS,isomer#2 | JsmolCOC(=O)N[C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C(C)(C)C | TBDMS | 653.2383 | Standard non polar | 4287.7383 |
RI01722492 | Encorafenib,1TBDMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C(C)(C)C | TBDMS | 653.2383 | Standard non polar | 4237.8867 |
RI01722491 | Encorafenib,3TMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C)S(C)(=O)=O)=C2F)=N1)[Si](C)(C)C)[Si](C)(C)C | TMS | 755.2704 | Standard non polar | 4345.665 |
RI01722490 | Encorafenib,2TMS,isomer#3 | JsmolCOC(=O)N[C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C)S(C)(=O)=O)=C2F)=N1)[Si](C)(C)C | TMS | 683.2308 | Standard non polar | 4211.3 |
RI01722489 | Encorafenib,2TMS,isomer#2 | JsmolCOC(=O)N([C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C)S(C)(=O)=O)=C2F)=N1)[Si](C)(C)C | TMS | 683.2308 | Standard non polar | 4161.708 |
RI01722488 | Encorafenib,2TMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C)[Si](C)(C)C | TMS | 683.2308 | Standard non polar | 4179.4004 |
RI01722487 | Encorafenib,1TMS,isomer#3 | JsmolCOC(=O)N[C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(N([Si](C)(C)C)S(C)(=O)=O)=C2F)=N1 | TMS | 611.1913 | Standard non polar | 4011.8748 |
RI01722486 | Encorafenib,1TMS,isomer#2 | JsmolCOC(=O)N[C@@H](C)CN(C1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C | TMS | 611.1913 | Standard non polar | 4064.1562 |
RI01722485 | Encorafenib,1TMS,isomer#1 | JsmolCOC(=O)N([C@@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1)[Si](C)(C)C | TMS | 611.1913 | Standard non polar | 4001.5586 |
RI01722484 | Fosnetupitant,1TBDMS,isomer#1 | JsmolCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C(C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | TBDMS | 802.3114 | Standard polar | 4558.283 |
RI01722483 | Fosnetupitant,1TMS,isomer#1 | JsmolCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | TMS | 760.2645 | Standard polar | 4503.195 |
RI01722482 | Fosnetupitant,1TBDMS,isomer#1 | JsmolCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C(C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | TBDMS | 802.3114 | Semi standard non polar | 3960.4026 |
RI01722481 | Fosnetupitant,1TMS,isomer#1 | JsmolCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | TMS | 760.2645 | Semi standard non polar | 3796.1287 |
RI01722480 | Fosnetupitant,1TBDMS,isomer#1 | JsmolCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C(C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | TBDMS | 802.3114 | Standard non polar | 4117.154 |
RI01722479 | Fosnetupitant,1TMS,isomer#1 | JsmolCC1=CC=CC=C1C1=CC(N2CC[N+](C)(COP(=O)([O-])O[Si](C)(C)C)CC2)=NC=C1N(C)C(=O)C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | TMS | 760.2645 | Standard non polar | 3919.756 |
RI01722478 | Fluorodopa F 18,5TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1[18F])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 784.4943 | Standard polar | 2672.5557 |
RI01722477 | Fluorodopa F 18,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1[18F])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 670.4078 | Standard polar | 2652.3076 |