HIT ID: HIT214323141
Cas No: 2169223-49-6
分子式: C22H27ClF2N6O2S
分子量: 513
常用名: SHP2-IN-6 hydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[4-({3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl}sulfanyl)-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]ethan-1-one hydrochloride
IUPAC: 1-[4-({3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl}sulfanyl)-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]ethan-1-one hydrochloride
SMILES: Cl.CC(=O)N1CC(F)(F)c2c1cccc2Sc1ncc(nc1N)N1CCC2(COC[C@H]2N)CC1
SMILES: Cl.CC(=O)N1CC(F)(F)c2c1cccc2Sc1ncc(nc1N)N1CCC2(COC[C@H]2N)CC1
InChI key: CVTYVQDHPFFBBF-PKLMIRHRSA-N
