LigandBoxID:D02950

NAME:Antazoline phosphate
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
C17H20N3 266.368 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -4.8610 -12.2680
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.846400023E+00 0.417110370E-02 + 0.6183

Links to the same SMILES compounds

LIGANDBOX 00095746 D07458 D07459
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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