rdf:type |
|
chemicalCompound:parent |
|
chemicalCompound:standardIn... |
InChI=1S/C9H7N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-7H;1H
|
chemicalCompound:standardIn... |
IYRMNDOLPONSCJ-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
Cl.c1ccc2cnccc2c1
|
chemicalCompound:molecularF... |
C9H8ClN
|
chemicalCompound:moleculeId |
154451
|
chemicalCompound:mwFreebase |
129.159
|
chemicalCompound:alogp |
1.587
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
12.89
|
chemicalCompound:rtb |
0
|
chemicalCompound:ro3Pass |
Y
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
2.02
|
chemicalCompound:acdLogD |
2.016
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
165.62
|
chemicalCompound:acdMostBpk... |
5.368
|
chemicalCompound:chemblId |
CHEMBL328754
|
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:prefName |
ISOQUINOLINE CHLORIDE
|
chemicalCompound:activity |
|