主记录
Pan-RAS-IN-1
- CAS
- 1835283-94-7
- PubChem CID
- 102004330
- SMILES
- C1CNCCC1(C(=O)NCCCN2C=C(C3=C2C=CC(=C3)CN4CCN(CC4)CC5=C(C=CC=C5Cl)Cl)C6=CC=C(C=C6)OC(F)(F)F)N
- 分子式
- C36H41Cl2F3N6O2
- 分子量
- 717.664
- 精确分子量
- 716.262
- InChI
- InChI=1S/C36H41Cl2F3N6O2/c37-31-3-1-4-32(38)30(31)23-46-19-17-45(18-20-46)22-25-5-10-33-28(21-25)29(26-6-8-27(9-7-26)49-36(39,40)41)24-47(33)16-2-13-44-34(48)35(42)11-14-43-15-12-35/h1,3-10,21,24,43H,2,11-20,22-23,42H2,(H,44,48)
- InChIKey
- GMDFJPPJWWJNKF-UHFFFAOYSA-N
- LogP
- 6.4187
- TPSA
- 87.79
名称与别名
- Pan-RAS-IN-1
- 1835283-94-7
- RasIN3144
- pan-RAS inhibitor-3144
- Ras-IN-3144
- C36H41Cl2F3N6O2
- GMDFJPPJWWJNKF-UHFFFAOYSA-N
- orb1307914
- CHEMBL4751908
- SCHEMBL17304549
- GLXC-15860
- EX-A5982
- MFCD31382126
- AKOS040742364
- ZINC669678959
- CS-6466
- DA-66480
- MS-31218
- HY-101295
- G16065
- A1015233
- 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
- 4-amino-N-(3-(5-((4-(2,6-dichlorobenzyl)piperazin-1-yl)methyl)-3-(4-(trifluoromethoxy)phenyl)-1H-indol-1-yl)propyl)piperidine-4-carboxamide
- 4-Amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]-1-piperazinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]-1H-indol-1-yl]propyl]-4-piperidinecarboxamide
- 4-amino-N-{3-[5-({4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}methyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl}piperidine-4-carboxamide