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IMPPAT Phytochemical information:
1-Methylindolizine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015196
Phytochemical name:
1-Methylindolizine
Synonymous chemical names:
1-methyl-indolizine
External chemical identifiers:
CID:582636
,
SureChEMBL:SCHEMBL4397520
Chemical structure information
SMILES:
Cc1ccn2c1cccc2
InChI:
InChI=1S/C9H9N/c1-8-5-7-10-6-3-2-4-9(8)10/h2-7H,1H3
InChIKey:
XETHUYLPOULFPF-UHFFFAOYSA-N
DeepSMILES:
Ccccnc5cccc6
Functional groups:
cn(c)c
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccn2cccc2c1
Scaffold Graph/Node level:
C1CCN2CCCC2C1
Scaffold Graph level:
C1CCC2CCCC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Pyrrolopyridines
ClassyFire Subclass:
Indolizines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tryptophan alkaloids
NP-Likeness score:
-1.237
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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