D09789

LigandBoxID:D09789

NAME:Kirenidipine hydrochloride
SMILES: C=CCN1CCN(CC(COC(c3c(nc(c(c3c2cccc(c2)N(=O)O)C(OC)=O)C)C)=O)(C)C)CC1

2D	3D
	select 3D conformers:
SDF file D09789 [show] [download] [KEGG DRUG]	MOL2 file D09789-01 : [show] [download] D09789-02 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C28H40N4O6	528.650	2	3
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
6	1	-8.0270	-12.4130
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.136995006E+01	0.175234876E-03	+	2.8895

Links to the same SMILES compounds

PUBCHEM

[Back to top page]