Summary

IMPPAT Phytochemical identifier: IMPHY012119

Phytochemical name: Crimidine

Synonymous chemical names:
crimidine

External chemical identifiers:
CID:10813, ChEMBL:CHEMBL1607733, ChEBI:82258, ZINC:ZINC000001577127, FDASRS:W34R2923T3, SureChEMBL:SCHEMBL432253, MolPort-000-002-935

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Chemical structure information

SMILES:
Cc1cc(nc(n1)Cl)N(C)C

InChI:
InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3

InChIKey:
HJIUPFPIEBPYIE-UHFFFAOYSA-N

DeepSMILES:
Ccccncn6)Cl)))NC)C

Functional groups:
cCl, cN(C)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cncnc1

Scaffold Graph/Node level:
C1CNCNC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.604

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Chemical structure download