KSH2210-01879259

LigandBoxID:KSH2210-01879259-01

SMILES: COC(c3nnn(C4CN(C(C(NCc2cccc(C(F)(F)F)c2)=O)C4)Cc1cccnc1)c3)=O

2D	3D
	select 3D conformers:
SDF file KSH2210-01879259-01 [show] [download]	MOL2 file KSH2210-01879259-01: [show] [download] KSH2210-01879259-02: [show] [download] KSH2210-01879259-03: [show] [download]

Compound ID of the source

Kishida2210

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C23H23N6O3F3	488.470	0	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
6	2	-4.6938	-12.9524
mLOGS	mLOGD	mLOGPA
-5.093	2.654	-5.164

Links to the same SMILES compounds

PUBCHEM

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