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- ChemComp-QOJ: 4-[10-(9-azanyl-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-4-yl)decy... -

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Basic information

EntryDatabase: PDB chemical components / ID: QOJ
NameName: 4-[10-(9-azanyl-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-9-amine

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Chemical information

Composition
Formula: C34H44N4 / Number of atoms: 82 / Formula weight: 508.74 / Formal charge: 0
Others

6v4t

Type: non-polymer / PDB classification: HETAIN / Three letter code: QOJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6V4T
History
Create componentDec 3, 2019
Initial releaseApr 1, 2020
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

CACTVS 3.385Nc1c2CCCc2[n](CCCCCCCCCC[n]3c4CCCc4c(N)c5ccccc35)c6ccccc16
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N

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SMILES CANONICAL

CACTVS 3.385Nc1c2CCCc2[n](CCCCCCCCCC[n]3c4CCCc4c(N)c5ccccc35)c6ccccc16
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N

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InChI

InChI 1.03InChI=1S/C34H44N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20H,1-6,11-14,17-18,21-24,35-36H2

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InChIKey

InChI 1.03FFRQQDRRBISPHZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6v4t:
MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3

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