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IMPPAT Phytochemical information:
2(10H)-Phenazinone, 10-methyl-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016202
Phytochemical name:
2(10H)-Phenazinone, 10-methyl-
Synonymous chemical names:
10-methyl-2-(10h)-phenazinone
External chemical identifiers:
CID:14360019
Chemical structure information
SMILES:
O=c1ccc2-c(c1)n(C)c1c(n2)cccc1
InChI:
InChI=1S/C13H10N2O/c1-15-12-5-3-2-4-10(12)14-11-7-6-9(16)8-13(11)15/h2-8H,1H3
InChIKey:
HAQCALIJITZJCC-UHFFFAOYSA-N
DeepSMILES:
O=cccc-cc6)nC)ccn6)cccc6
Functional groups:
c=O, cn(c)C, cnc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1ccc2nc3ccccc3[nH]c-2c1
Scaffold Graph/Node level:
OC1CCC2NC3CCCCC3NC2C1
Scaffold Graph level:
CC1CCC2CC3CCCCC3CC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Diazanaphthalenes
ClassyFire Subclass:
Benzodiazines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Anthranilic acid alkaloids
NP Classifier Class:
Phenazine alkaloids
NP-Likeness score:
-0.782
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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