|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
|
|
chemicalCompound:standardIn... |
GHMLBKRAJCXXBS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc(O)c1
|
|
chemicalCompound:molecularF... |
C6H6O2
|
|
chemicalCompound:moleculeId |
32978
|
|
chemicalCompound:mwFreebase |
110.111
|
|
chemicalCompound:alogp |
1.346
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
40.46
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.447
|
|
chemicalCompound:acdLogP |
0.816
|
|
chemicalCompound:acdLogD |
0.812
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
110.111
|
|
chemicalCompound:chemblId |
CHEMBL24147
|
|
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 |
RESORCINOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:112754,
activity:112755,
activity:112756,
activity:145972,
activity:145973,
activity:501133,
activity:789907,
activity:789908,
activity:789909,
activity:789910,
activity:789911,
activity:1737833,
activity:1737836,
activity:1737838,
activity:1737840,
activity:1737842,
activity:1737895,
activity:1738367,
activity:1738368,
activity:1738369,
activity:1738371,
activity:1845263,
activity:1845372,
activity:1845465,
activity:2055386,
activity:2055423,
activity:2055483,
activity:2058602,
activity:2172306,
activity:2172316,
activity:2172328,
activity:2230095,
activity:2230096,
activity:2230097,
activity:2230098,
activity:2230099,
activity:2230100,
activity:2246696,
activity:2269880,
activity:2269885,
activity:2284081,
activity:2284082,
activity:2284083,
activity:2284084,
activity:2284085,
activity:2284086,
activity:2284087,
activity:2429565,
activity:2429571,
activity:2429578,
activity:2429583,
activity:2429589,
activity:2441765,
activity:2441774,
activity:2572985,
activity:2572994,
activity:2573003,
activity:2573012,
activity:2573021,
activity:2573030,
activity:2573039,
activity:2573048,
activity:2573057
|
