|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H15Cl2NO/c1-12-6-7-18-15(8-12)10-16(20(22)23-18)9-13(2)19(24)14-4-3-5-17(21)11-14/h3-11H,1-2H3/b13-9+
|
|
chemicalCompound:standardIn... |
JTAUPVHBMZDKHQ-UKTHLTGXSA-N
|
|
chemicalCompound:canonicalS... |
C\C(=C/c1cc2cc(C)ccc2nc1Cl)\C(=O)c3cccc(Cl)c3
|
|
chemicalCompound:molecularF... |
C20H15Cl2NO
|
|
chemicalCompound:moleculeId |
1148759
|
|
chemicalCompound:mwFreebase |
356.245
|
|
chemicalCompound:alogp |
6.358
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
29.96
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.66
|
|
chemicalCompound:acdLogD |
4.66
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
356.245
|
|
chemicalCompound:chemblId |
CHEMBL1782106
|
|
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 |
|
