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- ChemComp-5GB: 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 5GB
NameName: 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

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Chemical information

Composition
Formula: C18H14N4S / Number of atoms: 37 / Formula weight: 318.396 / Formal charge: 0
Others

5dvt
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5GB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5DVT
History
Create componentSep 22, 2015
Initial releaseSep 30, 2015
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / 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 12.01n1c4c(ccc1c3c(c2cc(ccc2)C)nc(N)s3)nccc4
CACTVS 3.385Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3
OpenEye OEToolkits 1.9.2Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4

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SMILES CANONICAL

CACTVS 3.385Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3
OpenEye OEToolkits 1.9.2Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4

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InChI

InChI 1.03InChI=1S/C18H14N4S/c1-11-4-2-5-12(10-11)16-17(23-18(19)22-16)15-8-7-13-14(21-15)6-3-9-20-13/h2-10H,1H3,(H2,19,22)

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InChIKey

InChI 1.03DKLCXLVLUXDLJI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
OpenEye OEToolkits 1.9.24-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

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PDB entries

Showing all 1 items

PDB-5t6i:
CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB

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