|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H21ClN2O2/c1-17(28)27-24(15-23(26-27)19-7-11-21(25)12-8-19)20-9-13-22(14-10-20)29-16-18-5-3-2-4-6-18/h2-14,24H,15-16H2,1H3
|
|
chemicalCompound:standardIn... |
UPSWDUIISSYJJJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)N1N=C(CC1c2ccc(OCc3ccccc3)cc2)c4ccc(Cl)cc4
|
|
chemicalCompound:molecularF... |
C24H21ClN2O2
|
|
chemicalCompound:moleculeId |
566392
|
|
chemicalCompound:mwFreebase |
404.889
|
|
chemicalCompound:alogp |
4.983
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
41.9
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.158
|
|
chemicalCompound:acdLogD |
4.158
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
404.889
|
|
chemicalCompound:chemblId |
CHEMBL556447
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:2715775,
activity:2715784,
activity:2715905,
activity:2715907,
activity:2715909,
activity:2715911,
activity:2715913,
activity:2715915,
activity:2715917,
activity:2715921,
activity:2715928,
activity:2715929,
activity:2715930,
activity:2715931,
activity:2715934,
activity:2715935,
activity:2715936,
activity:2715937,
activity:2727847,
activity:2727853,
activity:2727977,
activity:2728004,
activity:2728018,
activity:2728031,
activity:2728041
|
