LigandBoxID:D02950

SMILES: c1cccc(CN(c3ccccc3)CC2=NCCN2)c1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D02950

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19N3 265.360 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 0.5605 -8.5941
LOGS LOGP    
$$$$ 0.7354    

Links to the same SMILES compounds

LIGANDBOX D07458 D07459 HTS1306-00104229
CHEMBL CHEMBL1200550 CHEMBL1256819 CHEMBL1305
ZINC ZINC00057204
PUBCHEM 158798 170350 17275 173776 174122
18419 20056963 21124867 2200 222115 24847773
3083406 3084423 44154319 49951956 5257187 57354328
657291


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