|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H11ClN2O2/c1-11(16(21)12-6-8-14(18)9-7-12)20-17(22)15-5-3-2-4-13(15)10-19-20/h2-10H,1H2
|
|
chemicalCompound:standardIn... |
BKMWKOFGBWEZSP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)C(=O)C(=C)N2N=Cc3ccccc3C2=O
|
|
chemicalCompound:molecularF... |
C17 H11 Cl N2 O2
|
|
chemicalCompound:moleculeId |
51970
|
|
chemicalCompound:mwFreebase |
310.734
|
|
chemicalCompound:alogp |
3.442
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
49.74
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.114
|
|
chemicalCompound:acdLogD |
3.114
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
310.734
|
|
chemicalCompound:chemblId |
CHEMBL284698
|
|
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 |
|
