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- ChemComp-QWK: ~{N}-[6-(phenylmethyl)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-2... -

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Basic information

EntryDatabase: PDB chemical components / ID: QWK
NameName: ~{N}-[6-(phenylmethyl)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-2-yl]propanamide
Synonyms: RA303

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Chemical information

Composition
Formula: C17H20N4O / Number of atoms: 42 / Formula weight: 296.367 / Formal charge: 0
Others

7a1w

Type: non-polymer / PDB classification: HETAIN / Three letter code: QWK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7A1W
History
Create componentAug 14, 2020
Initial releaseOct 13, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CCC(=O)Nc1ncc2CN(CCc2n1)Cc3ccccc3
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3

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SMILES CANONICAL

CACTVS 3.385CCC(=O)Nc1ncc2CN(CCc2n1)Cc3ccccc3
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3

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InChI

InChI 1.03InChI=1S/C17H20N4O/c1-2-16(22)20-17-18-10-14-12-21(9-8-15(14)19-17)11-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3,(H,18,19,20,22)

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InChIKey

InChI 1.03RKYHRKJGSWFJHW-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7a1w:
KRASG12C GDP form in complex with Cpd3

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