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- ChemComp-VLW: 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3... -

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Basic information

EntryDatabase: PDB chemical components / ID: VLW
NameName: 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

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Chemical information

Composition
Formula: C26H30N4O / Number of atoms: 61 / Formula weight: 414.543 / Formal charge: 0
Others

8oga

Type: non-polymer / PDB classification: HETAIN / Three letter code: VLW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OGA
History
Create componentMar 20, 2023
Initial releaseJun 14, 2023
Modify chargeOct 19, 2023
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 3.385COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6
OpenEye OEToolkits 2.0.7CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6
OpenEye OEToolkits 2.0.7CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC

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InChI

InChI 1.06InChI=1S/C26H30N4O/c1-28-13-15-29(16-14-28)21-5-8-23-19(17-21)18-24(30-12-11-27-25(23)30)26(9-10-26)20-3-6-22(31-2)7-4-20/h3-8,17-18H,9-16H2,1-2H3

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InChIKey

InChI 1.06PAHRGUYMKQCNRV-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8oga:
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6

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