|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
|
|
chemicalCompound:standardIn... |
JBIJLHTVPXGSAM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc2ccccc2c1
|
|
chemicalCompound:molecularF... |
C10 H9 N
|
|
chemicalCompound:moleculeId |
28609
|
|
chemicalCompound:mwFreebase |
143.185
|
|
chemicalCompound:alogp |
1.991
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.32
|
|
chemicalCompound:acdLogD |
2.32
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
143.185
|
|
chemicalCompound:acdMostBpk... |
4.32
|
|
chemicalCompound:chemblId |
CHEMBL278164
|
|
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 |
NAPHTHYLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:228980,
activity:228981,
activity:228982,
activity:228983,
activity:228984,
activity:228985,
activity:264827,
activity:264828,
activity:264829,
activity:264830,
activity:264831,
activity:264832,
activity:1202750,
activity:1474303,
activity:2055380,
activity:2055477,
activity:3689036,
activity:4156821,
activity:4865087,
activity:4969617,
activity:5038670,
activity:5456349,
activity:6074823,
activity:6746884,
activity:6851623,
activity:7011263,
activity:7531148,
activity:7552727,
activity:7565286,
activity:7565287,
activity:7565288,
activity:7565289,
activity:7565290,
activity:7565291
|
