Name: Gastrazole free acid
Rating: 5 (10 reviews)

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HIT ID:HIT212710035
Cas No:174610-98-1
常用名:Gastrazole free acid
别名:JB-95008, JB95008, JB 95008, Gastrazole
IUPAC:5-[(2S)-2-({6-[(cycloheptylmethyl)carbamoyl]-1H-1,3-benzodiazol-5-yl}formamido)-3-(2-fluorophenyl)propanamido]benzene-1,3-dicarboxylic acid
IUPAC:5-[(2S)-2-({6-[(cycloheptylmethyl)carbamoyl]-1H-1,3-benzodiazol-5-yl}formamido)-3-(2-fluorophenyl)propanamido]benzene-1,3-dicarboxylic acid
InChI key:CUVGKDWFTDAHSS-LJAQVGFWSA-N

分子式:C34H34FN5O7
分子量:643.672
氢键供体数 (HBD):6
氢键受体数 (HBA):8
LogP:3.3603027
SMILES:OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3nc[nH]c3cc2C(=O)NCC2CCCCCC2)cc(c1)C(O)=O
SMILES:OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3nc[nH]c3cc2C(=O)NCC2CCCCCC2)cc(c1)C(O)=O

Gastrazole is a CCK2 receptor antagonist potentially. It also used for the treatment of pancreatic cancer.

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