IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Cyclopropane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY012055
Phytochemical name:
Cyclopropane
Synonymous chemical names:
ciklopropane, cyclopropane
External chemical identifiers:
CID:6351
,
ChEMBL:CHEMBL1796999
,
ChEBI:30365
,
FDASRS:99TB643425
,
SureChEMBL:SCHEMBL173
Chemical structure information
SMILES:
C1CC1
InChI:
InChI=1S/C3H6/c1-2-3-1/h1-3H2
InChIKey:
LVZWSLJZHVFIQJ-UHFFFAOYSA-N
DeepSMILES:
CCC3
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC1
Scaffold Graph/Node level:
C1CC1
Scaffold Graph level:
C1CC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Saturated hydrocarbons
ClassyFire Subclass:
Cycloalkanes
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP-Likeness score:
-0.078
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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