|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
|
|
chemicalCompound:standardIn... |
PSFDQSOCUJVVGF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1nccc2c3ccccc3[nH]c12
|
|
chemicalCompound:molecularF... |
C12H10N2
|
|
chemicalCompound:moleculeId |
9837
|
|
chemicalCompound:mwFreebase |
182.221
|
|
chemicalCompound:alogp |
2.455
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
28.68
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.06
|
|
chemicalCompound:acdLogD |
1.834
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
182.221
|
|
chemicalCompound:acdMostBpk... |
8.623
|
|
chemicalCompound:chemblId |
CHEMBL12014
|
|
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 |
HARMAN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:40803,
activity:428080,
activity:435312,
activity:654544,
activity:654545,
activity:654546,
activity:654547,
activity:654548,
activity:654549,
activity:654550,
activity:654551,
activity:654552,
activity:654553,
activity:654554,
activity:975159,
activity:1073393,
activity:1220887,
activity:1220888,
activity:1305944,
activity:1975633,
activity:1975638,
activity:1975639,
activity:1975822,
activity:1975823,
activity:1975824,
activity:2197493,
activity:2197529,
activity:2197562,
activity:2259331,
activity:2311861,
activity:2311877,
activity:2311893,
activity:2311909,
activity:2311925,
activity:2311941,
activity:2311968,
activity:2311980,
activity:2311981,
activity:2311982,
activity:2456549,
activity:2590224,
activity:2590234,
activity:2590237,
activity:2590241,
activity:2615529,
activity:2670532,
activity:2670540,
activity:2670899,
activity:2670908,
activity:2891710,
activity:2891792,
activity:2891863,
activity:2891934,
activity:2892001,
activity:2892919,
activity:2892990,
activity:2893065,
activity:2893132,
activity:2893203,
activity:2893776,
activity:2893847,
activity:2893922,
activity:2893993
|
