HIT ID: HIT212971541
Cas No: 958025-66-6
分子式: C22H25BrN6O4S
分子量: 549.44
常用名: MPC-3100
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 2.7900813
IUPAC: (2S)-1-[4-(2-{6-amino-8-[(6-bromo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}ethyl)piperidin-1-yl]-2-hydroxypropan-1-one
IUPAC: (2S)-1-[4-(2-{6-amino-8-[(6-bromo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}ethyl)piperidin-1-yl]-2-hydroxypropan-1-one
SMILES: C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
SMILES: C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1
InChI key: CVBWTNHDKVVFMI-LBPRGKRZSA-N
