IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
N6-Methylagmatine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005789
Phytochemical name:
N6-Methylagmatine
Synonymous chemical names:
n-methylagmatine, n6-methylagmatine
External chemical identifiers:
CID:196509
Chemical structure information
SMILES:
C/N=C(/NCCCCN)N
InChI:
InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10)
InChIKey:
CEZLGLLDSAKBNX-UHFFFAOYSA-N
DeepSMILES:
C/N=C/NCCCCN))))))N
Functional groups:
C/N=C(N)NC, CN
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Guanidines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Polyamines
NP-Likeness score:
0.14
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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