HTS1710-04266920

LigandBoxID:HTS1710-04266920-01

SMILES: COCCCn1ccc(n1)NC(NC(c2cc3ccccc3o2)C)=O

2D	3D
	select 3D conformers:
SDF file HTS1710-04266920-01 [show] [download]	MOL2 file HTS1710-04266920-01: [show] [download] HTS1710-04266920-02: [show] [download]

Compound ID of the source

Namiki1710

NS-019639534-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C18H22N4O3	342.399	0	2
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
4	1	-0.1362	-8.6300
LOGS	LOGP
-4.320	2.183

Links to the same SMILES compounds

PUBCHEM

Links to the another version LigandBox compounds (same SMILES)

201610_2

HTS1610-06238484

HTS1610-06238485

KSH2016-02408107

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