D01696

LigandBoxID:D01696

NAME:Lenampicillin hydrochloride;Kbt 1585;Valacillin
SMILES: O=C2OC(=C(O2)COC(C4N3C(C(C3SC4(C)C)NC(C(c1ccccc1)N)=O)=O)=O)C

2D	3D
	select 3D conformers:
SDF file D01696 [show] [download] [KEGG DRUG]	MOL2 file D01696-01 : [show] [download] D01696-01o : [show] [download] D01696-02 : [show] [download] D01696-03 : [show] [download] D01696-04 : [show] [download] D01696-05 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C21H24N3O7S	462.502	1	4
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
7	4	-4.4150	-11.5510
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.900330007E+00	0.450448459E-02	+	4.3217

Links to the same SMILES compounds

LIGANDBOX	D08110
PUBCHEM	3900	444026	444027	65646	6917773
9956859	9959013	9960131

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