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- ChemComp-VJZ: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,... -

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Basic information

EntryDatabase: PDB chemical components / ID: VJZ
NameName: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine

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Chemical information

Composition
Formula: C23H23N7O / Number of atoms: 54 / Formula weight: 413.475 / Formal charge: 0
Others

7ols

Type: non-polymer / PDB classification: HETAIN / Three letter code: VJZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OLS
History
Create componentMay 20, 2021
Initial releaseSep 15, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C
OpenEye OEToolkits 2.0.7Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C

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SMILES CANONICAL

CACTVS 3.385CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C
OpenEye OEToolkits 2.0.7Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C

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InChI

InChI 1.03InChI=1S/C23H23N7O/c1-15-11-18(20-12-25-29(4)16(20)2)6-7-19(15)22-26-27-23(31-22)28(3)13-17-5-8-21-24-9-10-30(21)14-17/h5-12,14H,13H2,1-4H3

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InChIKey

InChI 1.03SERBYZUNBVTZJZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ols:
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group

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