LigandBoxID:D01531

NAME:Pipemidic acid hydrate;PPA;Karunomazin
SMILES: CCn2cc(c(c3cnc(N1CCNCC1)nc32)=O)C(=O)O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01531

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H17N5O3 303.322 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -2.5637 -6.3353
LOGS LOGP    
-1.2820 -2.0871    

Links to the same SMILES compounds

LIGANDBOX D08379 HTS1610-00132645 KSH2016-01716339
CHEMBL CHEMBL30116
ZINC ZINC00057466
PUBCHEM 10374310 11580585 153398 16124935 16124936
16124937 23684590 46191733 46191734 46191735 46865511
46865626 46865627 4831 58870897 6452568 6921791


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