HTS1610-01032368

LigandBoxID:HTS1610-01032368-01

SMILES: C=CCOc3ccc(c5nn(c1ccccc1)cc5C=C4SC6=NC(=C(C(N6C4=O)c2ccc(cc2)OC)C(OC(C)C)=O)C)cc3C

2D	3D

SDF file HTS1610-01032368-01 [show] [download]	MOL2 file HTS1610-01032368-01: [show] [download]

Compound ID of the source

Namiki1610

NS-006267934-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C38H36N4O5S	660.794	0	0
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
7	1	-1.5291	-8.2461
LOGS	LOGP
-10.8989	5.4710

Links to the same SMILES compounds

LIGANDBOX

HTS1610-01032367

HTS1610-01039488

HTS1610-01039489

KSH2016-01924508

Links to the another version LigandBox compounds (same SMILES)

201710

HTS1710-00709214

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