Summary

IMPPAT Phytochemical identifier: IMPHY012706

Phytochemical name: 2-Methyl-1,10-phenanthroline

Synonymous chemical names:
2-methyl-1,10-phenanthroline

External chemical identifiers:
CID:4913356, ChEMBL:CHEMBL1728912, ZINC:ZINC000004228177, SureChEMBL:SCHEMBL3193864, MolPort-000-478-129

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Chemical structure information

SMILES:
Cc1ccc2c(n1)c1ncccc1cc2

InChI:
InChI=1S/C13H10N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h2-8H,1H3

InChIKey:
LQZDYPHFVGRHKD-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6)cncccc6cc%10

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnc2c(c1)ccc1cccnc12

Scaffold Graph/Node level:
C1CNC2C(C1)CCC1CCCNC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Phenanthrolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: -0.917

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Chemical structure download