D01629

LigandBoxID:D01629

NAME:Cefetamet pivoxil hydrochloride;CEMT-PI;Cefyl
SMILES: CON=C(c1csc(n1)N)C(NC2C(n3c(C(OCOC(C(C)(C)C)=O)=O)c(csc32)C)=O)=O

2D	3D
	select 3D conformers:
SDF file D01629 [show] [download] [KEGG DRUG]	MOL2 file D01629-01 : [show] [download] D01629-01o : [show] [download] D01629-02 : [show] [download] D01629-03 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C20H25N5O7S2	511.578	0	3
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
9	2	-0.6710	-8.7680
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.376501989E+01	0.214850619E+00	+	5.9644

Links to the same SMILES compounds

LIGANDBOX	C13089
PUBCHEM	12877767	42066857	44828543	45358086	45358087
53394830	53394831	53750461	5485221	5485222	5486182
5489410	9917387	9958690	9960190

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