Name: Olcegepant hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212666341
Cas No:586368-06-1
常用名:Olcegepant hydrochloride
IUPAC:(2R)-N-[(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)-2-{[4-(2-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)piperidine-1-carbonyl]amino}propanamide hydrochloride
IUPAC:(2R)-N-[(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)-2-{[4-(2-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)piperidine-1-carbonyl]amino}propanamide hydrochloride
InChI key:GJAWDDNZNYEKMO-XWIRJDCTSA-N

分子式:C38H48Br2ClN9O5
分子量:906.12
氢键供体数 (HBD):5
氢键受体数 (HBA):8
LogP:1.6193175
SMILES:Cl.NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
SMILES:Cl.NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1

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