HTS1710-04076235

LigandBoxID:HTS1710-04076235-01

SMILES: c1ccc(c5scc(n5)CN2CCN(C(COc3ccc(N4CCCC4=O)cc3)=O)CC2)cc1

2D	3D
	select 3D conformers:
SDF file HTS1710-04076235-01 [show] [download]	MOL2 file HTS1710-04076235-01: [show] [download] HTS1710-04076235-02: [show] [download]

Compound ID of the source

Namiki1710

NS-019365397-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C26H29N4O3S	477.608	1	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
4	0	-3.9107	-10.1710
LOGS	LOGP
-7.078	5.365

Links to the same SMILES compounds

PUBCHEM

Links to the another version LigandBox compounds (same SMILES)

201610_2

HTS1610-05919257

HTS1610-05919258

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