HTS1710-01184010

LigandBoxID:HTS1710-01184010-01

SMILES: COc2ccc(Nc3ccc(NC(NC1CCCC1)=S)cc3)cc2

2D	3D
	select 3D conformers:
SDF file HTS1710-01184010-01 [show] [download]	MOL2 file HTS1710-01184010-01: [show] [download] HTS1710-01184010-02: [show] [download]

Compound ID of the source

Namiki1710

NS-012341346-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C19H23N3OS	341.478	0	3
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
1	0	-0.3221	-8.2469
LOGS	LOGP
-6.756	4.848

Links to the same SMILES compounds

PUBCHEM

Links to the another version LigandBox compounds (same SMILES)

201610_2

HTS1610-01834499

HTS1610-01834500

KSH2016-00234120

[Back to top page]