LigandBoxID:D07765

NAME:Cyproheptadine;Ciprovit
SMILES: CN1CCC(=C4c2ccccc2C=Cc3ccccc43)CC1

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07765

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H22N 288.414 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -3.7740 -11.1130
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.304859996E+01 0.893299058E-01 + 0.8816

Links to the same SMILES compounds

LIGANDBOX 00018547 C06935 D02234
CHEMBL CHEMBL1716 CHEMBL516
ZINC ZINC00968264
PUBCHEM 11954233 13770 2913 4141783 43834424
44299947 45157477 481767 6441505 657241

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