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- ChemComp-VOZ: (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]... -

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Basic information

EntryDatabase: PDB chemical components / ID: VOZ
NameName: (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone

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Chemical information

Composition
Formula: C21H21N3O / Number of atoms: 46 / Formula weight: 331.411 / Formal charge: 0
Others

8k5x

Type: non-polymer / PDB classification: HETAIN / Three letter code: VOZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8K5X
History
Create componentAug 2, 2023
Initial releaseDec 6, 2023
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5

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SMILES CANONICAL

CACTVS 3.385O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5

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InChI

InChI 1.06InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2

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InChIKey

InChI 1.06FOEUSFMNKKBIIE-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8k5x:
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor

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