IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Aminofluorene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY012033
Phytochemical name:
2-Aminofluorene
Synonymous chemical names:
2-aminofluorene
External chemical identifiers:
CID:1539
,
ChEMBL:CHEMBL84472
,
ZINC:ZINC000001516303
,
FDASRS:3A69OS195N
,
SureChEMBL:SCHEMBL225901
,
MolPort-000-151-058
Chemical structure information
SMILES:
Nc1ccc2-c3c(Cc2c1)cccc3
InChI:
InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
InChIKey:
CFRFHWQYWJMEJN-UHFFFAOYSA-N
DeepSMILES:
Ncccc-ccCc5c9)))cccc6
Functional groups:
cN
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)Cc1ccccc1-2
Scaffold Graph/Node level:
C1CCC2C(C1)CC1CCCCC12
Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Fluorenes
NP Classifier Biosynthetic pathway:
Polyketides
NP Classifier Superclass:
Polycyclic aromatic polyketides
NP Classifier Class:
Anthraquinones and anthrones
NP-Likeness score:
-0.246
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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