|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H13Cl2NO/c1-12-2-3-14-11-15(19(21)22-17(14)10-12)6-9-18(23)13-4-7-16(20)8-5-13/h2-11H,1H3/b9-6+
|
|
chemicalCompound:standardIn... |
PQCQHQHRTPEBAI-RMKNXTFCSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc2cc(\C=C\C(=O)c3ccc(Cl)cc3)c(Cl)nc2c1
|
|
chemicalCompound:molecularF... |
C19H13Cl2NO
|
|
chemicalCompound:moleculeId |
1150662
|
|
chemicalCompound:mwFreebase |
342.219
|
|
chemicalCompound:alogp |
5.912
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
29.96
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.655
|
|
chemicalCompound:acdLogD |
4.655
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
342.219
|
|
chemicalCompound:chemblId |
CHEMBL1783990
|
|
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 |
|
