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- ChemComp-QUL: N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: QUL
NameName: N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine

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Chemical information

Composition
Formula: C21H24N4 / Number of atoms: 49 / Formula weight: 332.442 / Formal charge: 0
Others

3l7v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: QUL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3L7V
History
Create componentJan 12, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / PubChem / ZINC / 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 12.01n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC
CACTVS 3.370CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14
OpenEye OEToolkits 1.7.0CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4

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SMILES CANONICAL

CACTVS 3.370CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14
OpenEye OEToolkits 1.7.0CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4

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InChI

InChI 1.03InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)

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InChIKey

InChI 1.03BWWJYRDFOAYKCH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
OpenEye OEToolkits 1.7.0N',N'-diethyl-N-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine

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PDB entries

Showing all 1 items

PDB-2l7v:
Quindoline/G-quadruplex complex

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