LigandBoxID:D01021

SMILES: c1ccc3c(cccc3CC2=NCCN2)c1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01021

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H14N2 210.280 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -0.4915 -8.8766
LOGS LOGP    
$$$$ -4.4322    

Links to the same SMILES compounds

LIGANDBOX C07898 D00743 D08253 HTS1306-00104222
CHEMBL CHEMBL1706 CHEMBL761
ZINC ZINC00119717
PUBCHEM 10078295 10326704 10367416 10369068 10371976
10485258 11079 16218420 19981026 21225 22294692
23615857 3567233 3850723 43834266 43834388 4436
50932831 50932832 50932833 50932834 50932835 50932837
50932838 58951711 6367166 6367168 6367169 6367170
6367171 6367173 6367174 657295 82332 9853005
9986854


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