|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
|
|
chemicalCompound:standardIn... |
RUFPHBVGCFYCNW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C10 H9 N
|
|
chemicalCompound:moleculeId |
90130
|
|
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... |
4.21
|
|
chemicalCompound:chemblId |
CHEMBL57394
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:114848,
activity:119085,
activity:119086,
activity:119087,
activity:3607438,
activity:3657943,
activity:3686641,
activity:3772660,
activity:3774718,
activity:3919629,
activity:3924924,
activity:3951268,
activity:4144623,
activity:4291383,
activity:4620442,
activity:4811874,
activity:4872778,
activity:4879739,
activity:4896338,
activity:4901533,
activity:4976420,
activity:4980572,
activity:4989733,
activity:5058655,
activity:5065238,
activity:7565269,
activity:7565270,
activity:7565271,
activity:7565272,
activity:7565273,
activity:7565274,
activity:7565275,
activity:7565276,
activity:7565277
|
