|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
|
|
chemicalCompound:standardIn... |
DMBHHRLKUKUOEG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N(c1ccccc1)c2ccccc2
|
|
chemicalCompound:molecularF... |
C12H11N
|
|
chemicalCompound:moleculeId |
55991
|
|
chemicalCompound:mwFreebase |
169.222
|
|
chemicalCompound:alogp |
3.38
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.356
|
|
chemicalCompound:acdLogD |
3.356
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
169.222
|
|
chemicalCompound:acdMostBpk... |
0.78
|
|
chemicalCompound:chemblId |
CHEMBL38688
|
|
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 |
DIPHENYLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:89859,
activity:89860,
activity:89861,
activity:1036578,
activity:1879137,
activity:1879158,
activity:1879266,
activity:1879267,
activity:1879382,
activity:1879404,
activity:1879572,
activity:1879573,
activity:1879600,
activity:1939191,
activity:1939192,
activity:1939193,
activity:1939194,
activity:1939195,
activity:1939373,
activity:1939374,
activity:1939375,
activity:1939376,
activity:1939377,
activity:2331265,
activity:2331266,
activity:2331267,
activity:2331268,
activity:2331269,
activity:2331270,
activity:2331271,
activity:3690023,
activity:5618224,
activity:5740927,
activity:6326091,
activity:6326092,
activity:6326093,
activity:6326094,
activity:6326095,
activity:6326096,
activity:6326097,
activity:6326098,
activity:6326099,
activity:6326100,
activity:6326101,
activity:6326102,
activity:6326103,
activity:6326104,
activity:6326105,
activity:6326106,
activity:6326107,
activity:6326108,
activity:6326109,
activity:6326110,
activity:6326111,
activity:6326112,
activity:6326113,
activity:6326114,
activity:6326115,
activity:6326116,
activity:6326117,
activity:6326118,
activity:6326119,
activity:6326120,
activity:6698513,
activity:7123487
|
