Summary

IMPPAT Phytochemical identifier: IMPHY006152

Phytochemical name: 1,3-Diphenylurea

Synonymous chemical names:
1,3-diphenylurea

External chemical identifiers:
CID:7595, ChEMBL:CHEMBL354676, ChEBI:41320, ZINC:ZINC000012416741, FDASRS:94YD8RMX5B, SureChEMBL:SCHEMBL21313806, MolPort-000-393-991

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Chemical structure information

SMILES:
O=C(Nc1ccccc1)Nc1ccccc1

InChI:
InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

InChIKey:
GWEHVDNNLFDJLR-UHFFFAOYSA-N

DeepSMILES:
O=CNcccccc6)))))))Ncccccc6

Functional groups:
cNC(=O)Nc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Nc1ccccc1)Nc1ccccc1

Scaffold Graph/Node level:
OC(NC1CCCCC1)NC1CCCCC1

Scaffold Graph level:
CC(CC1CCCCC1)CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: -1.066

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Chemical structure download