D01401

LigandBoxID:D01401

NAME:Cefpirome sulfate;CPR;Cefrom
SMILES: CON=C(c1nsc(n1)N)C(NC4C(n5c(c(Cn3cccc2CCCc32)csc54)C(=O)O)=O)=O

2D	3D
	select 3D conformers:
SDF file D01401 [show] [download] [KEGG DRUG]	MOL2 file D01401-01 : [show] [download] D01401-02 : [show] [download] D01401-03 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C21H21N7O5S2	515.573	0	3
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
8	2	-2.9260	-7.7820
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.364140010E+01	0.186493963E+00	+	5.7292

Links to the same SMILES compounds

PUBCHEM

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