Name: GV-150013X
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432212
Cas No:151386-96-8
常用名:GV-150013X
别名:(S)-1-(1-(adamantan-1-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-3-phenylurea
别名:(S)-1-(1-(adamantan-1-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-3-phenylurea
IUPAC:3-[(3S)-1-[(adamantan-1-yl)methyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-1-phenylurea
IUPAC:3-[(3S)-1-[(adamantan-1-yl)methyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-1-phenylurea
InChI key:RZERRLOTRSJIAW-NGYFYKNKSA-N

分子式:C33H34N4O3
分子量:534.66
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=C(N[C@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1
SMILES:O=C(N[C@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1

GV-150013X ((S)-1-(1-(adamantan-1-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-3-phenylurea) 是一种有效的CCKB 拮抗剂，pKi= 9.02。

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