LigandBoxID:D10064

NAME:Dabrafenib
SMILES: CC(c2sc(c(c4cccc(c4F)NS(c3c(cccc3F)F)(=O)=O)n2)c1ccnc(n1)N)(C)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D10064

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H20N5O2F3S2 519.570 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -1.6894 -9.0505
LOGS LOGP    
-8.0449 3.4406    

Links to the same SMILES compounds

LIGANDBOX D10104
PUBCHEM 44462760 44516822 56934551


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