HIT ID: HIT212672786
Cas No: 1835283-94-7
分子式: C36H41Cl2F3N6O2
分子量: 717.66
常用名: Pan-RAS-IN-1
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 6.1246977
IUPAC: 4-amino-N-{3-[5-({4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}methyl)-3-[4-(trifluoromethoxy)phenyl]-1H-indol-1-yl]propyl}piperidine-4-carboxamide
IUPAC: 4-amino-N-{3-[5-({4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}methyl)-3-[4-(trifluoromethoxy)phenyl]-1H-indol-1-yl]propyl}piperidine-4-carboxamide
SMILES: NC1(CCNCC1)C(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12
SMILES: NC1(CCNCC1)C(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12
InChI key: GMDFJPPJWWJNKF-UHFFFAOYSA-N
