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- ChemComp-DZP: 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: DZP
NameName: 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

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Chemical information

Composition
Formula: C16H13ClN2O / Number of atoms: 33 / Formula weight: 284.74 / Formal charge: 0
Others

2bxf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DZP / Model coordinates PDB-ID: 2BXF
History
Create componentJul 26, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3
CACTVS 3.341CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
OpenEye OEToolkits 1.5.0CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

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SMILES CANONICAL

CACTVS 3.341CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
OpenEye OEToolkits 1.5.0CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

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InChI

InChI 1.03InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

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InChIKey

InChI 1.03AAOVKJBEBIDNHE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.047-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
OpenEye OEToolkits 1.5.07-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

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PDB entries

Showing all 4 items

PDB-2bxf:
Human serum albumin complexed with diazepam

PDB-6hup:
CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38.

PDB-6x3x:
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus diazepam

PDB-8bhk:
GABA-A receptor a5 homomer - a5V3 - Diazepam

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