Summary

IMPPAT Phytochemical identifier: IMPHY007806

Phytochemical name: Nikethamide

Synonymous chemical names:
coramine

External chemical identifiers:
CID:5497, ChEMBL:CHEMBL2104607, ChEBI:134814, ZINC:ZINC000000001814, FDASRS:368IVD6M32, SureChEMBL:SCHEMBL246456, MolPort-001-783-581

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Chemical structure information

SMILES:
CCN(C(=O)c1cccnc1)CC

InChI:
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

InChIKey:
NCYVXEGFNDZQCU-UHFFFAOYSA-N

DeepSMILES:
CCNC=O)ccccnc6)))))))CC

Functional groups:
cC(=O)N(C)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccncc1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Pyridinecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.91

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Chemical structure download