D07649

LigandBoxID:D07649

NAME:Cefpirome;CPR;Cefir
SMILES: CON=C(c1csc(n1)N)C(NC4C(n5c(c(Cn3cccc2CCCc32)csc54)C(=O)O)=O)=O

2D	3D
	select 3D conformers:
SDF file D07649 [show] [download] [KEGG DRUG]	MOL2 file D07649-01 : [show] [download] D07649-02 : [show] [download] D07649-03 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C22H22N6O5S2	514.585	0	3
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
7	2	-2.9470	-7.7630
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.399644995E+01	0.275973499E+00	+	5.5296

Links to the same SMILES compounds

LIGANDBOX	C11199
CHEMBL	CHEMBL15392	CHEMBL281631	CHEMBL65794
PUBCHEM	11954008	13138129	13138130	13138140	14721911
16663241	29920074	29920075	29922394	29922395	29922397
36688160	36688161	42609620	44181883	44269909	44269910
4487900	4487901	45280410	45356847	53395307	5479539
6125514	6125515	6334768	6917674	6917675	9807143
9850560	9895680	9960236	9960551	9960552

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