D10134

LigandBoxID:D10134

NAME:Lumacaftor
SMILES: OC(c2cccc(c4nc(NC(C1(c3ccc5oc(oc5c3)(F)F)CC1)=O)ccc4C)c2)=O

2D	3D

SDF file D10134 [show] [download] [KEGG DRUG]	MOL2 file D10134-01 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C24H17N2O5F2	451.405	-1	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
6	0	1.0700	-4.8620
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.300924993E+01	0.848507285E-01	+	4.0680

Links to the same SMILES compounds

ZINC	ZINC64033452
PUBCHEM	16678941	45480518	51347960

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