LigandBoxID:D03504

NAME:Cinacalcet
SMILES: C(NC(c3cccc2ccccc32)C)CCc1cccc(C(F)(F)F)c1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03504

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H23NF3 358.427 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -3.9682 -12.0206
LOGS LOGP    
-6.8790 6.8494    

Links to the same SMILES compounds

LIGANDBOX D03505 HTS1610-00127327 HTS1610-00127328 HTS1610-00246276 HTS1610-00246277
HTS1610-00246278 HTS1610-00246279
CHEMBL CHEMBL1200776 CHEMBL1201284
ZINC ZINC01550499 ZINC11678289
PUBCHEM 11201833 156418 156419 24970353 25174135
25197204 25231734 36688243 42104704 42104705 44633025
45038683 46240422 46240423 46240424 46240425 46240426
46240427 46240517 46240518 46240519 46240520 46240521
46240620 46240621 46240622 46240623 46240624 46240725
46240726 46240727 46240728 46240729 46240829 46240830
46240831 46240832 46240833 46240936 46240937 46240938
46240939 46240940 46241050 46241051 46241052 46241053
46241054 46241158 46241159 46241160 46241161 46241162
46241258 46241259 46241260 46241261 46241262 46241354
46241355 46241356 46241357 46241358 46241446 46241447
46241448 46241449 46241450 46241553 46241554 46241555
46241556 46241557 46241662 46241663 46241664 46241665
46241666 46241771 46241772 46241773 46241774 46241775
46241879 46241880 46241881 46241882 46241883 46241884
46241885 46241886 46241986 46241987 46241988 46241989
46241990 46241991 46241992 46241993 46241994 46781026
46898621 53395106 57504192 59359674 59359675 59359676
59359677 59359678 59359679 59359680 59359681 59359682
59359683 59359684 59825142 59825148 6101856


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