HTS1710-04956318

LigandBoxID:HTS1710-04956318-01

SMILES: CC(NC4CC(N(C4c1ccccc1)C(CCn3cnc2ccccc32)=O)C(N(C)C)=O)=O

2D	3D
	select 3D conformers:
SDF file HTS1710-04956318-01 [show] [download]	MOL2 file HTS1710-04956318-01: [show] [download] HTS1710-04956318-02: [show] [download] HTS1710-04956318-03: [show] [download] HTS1710-04956318-04: [show] [download]

Compound ID of the source

Namiki1710

NS-021577937-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C25H29N5O3	447.539	0	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
4	3	0.2656	-8.7218
LOGS	LOGP
-4.311	2.456

Links to the same SMILES compounds

PUBCHEM

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