BET-BAY 002 (S enantiomer)
HIT212671032
sdf文件结构编辑类似物检索
HIT ID: HIT212671032
Cas No:
分子式: C22H18ClN5O
分子量: 403.87
常用名: BET-BAY 002 (S enantiomer)
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.621815
IUPAC: (7S)-9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene
IUPAC: (7S)-9-(4-chlorophenyl)-3-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,5-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene
SMILES: Cc1nnc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7|
SMILES: Cc1nnc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7|
InChI key: AGYIAWHWIUZNSD-MRXNPFEDSA-N
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