D00909

LigandBoxID:D00909

NAME:Cefamandole nafate;Mandol
SMILES: O=COC(C(NC3C(n4c(c(csc43)CSc2nnnn2C)C(=O)O)=O)=O)c1ccccc1

2D	3D
	select 3D conformers:
SDF file D00909 [show] [download] [KEGG DRUG]	MOL2 file D00909-01 : [show] [download] D00909-02 : [show] [download] D00909-03 : [show] [download] D00909-04 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C19H17N6O6S2	489.511	-1	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
9	3	1.7910	-5.2450
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.417059988E+00	0.685504754E-03	+	3.9379

Links to the same SMILES compounds

LIGANDBOX	C08102
CHEMBL	CHEMBL1201218	CHEMBL1484057	CHEMBL1618	CHEMBL270497
PUBCHEM	13652477	16219159	22795795	23665731	23668415
23669253	23669254	23702651	24198567	2615	3679
39226	40467085	40467086	40467087	40467088	40469426
40469427	40469428	40469429	40473188	42052046	42052047
441390	44145163	49854437	51397053	51397054	5284527
54610887	58650829	58650830	9983899

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