D05834

LigandBoxID:D05834

NAME:Sibrafiban
SMILES: CCOC(COC1CCN(C(C(NC(c2ccc(C(=NO)N)cc2)=O)C)=O)CC1)=O

2D	3D
	select 3D conformers:
SDF file D05834 [show] [download] [KEGG DRUG]	MOL2 file D05834-01 : [show] [download] D05834-01o : [show] [download] D05834-02 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C20H29N4O6	421.474	1	5
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
6	1	-5.3970	-11.3810
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.316439986E+00	0.195716787E-02	-	1.6849

Links to the same SMILES compounds

PUBCHEM

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