LigandBoxID:PDB_06H

NAME:06H;(6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
SMILES: NC(c1ccc2cc1NC(C(N(CCCc3c(c4C(CC(Cc4n32)(C)C)=O)C)C)=O)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
06H(PDBeCHEM) 06H(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C25H32N4O3 436.556 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.5896 -8.8499
LOGS LOGP    
-6.0154 2.6147    

Links to the same SMILES compounds

CHEMBL CHEMBL1738704
PUBCHEM 53318895


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