|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
|
|
chemicalCompound:standardIn... |
WPYMKLBDIGXBTP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)c1ccccc1
|
|
chemicalCompound:molecularF... |
C7H6O2
|
|
chemicalCompound:moleculeId |
13371
|
|
chemicalCompound:mwFreebase |
122.121
|
|
chemicalCompound:alogp |
1.459
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.202
|
|
chemicalCompound:acdLogP |
1.559
|
|
chemicalCompound:acdLogD |
-1.313
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
122.121
|
|
chemicalCompound:chemblId |
CHEMBL541
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BENZOIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1987
|
|
chemicalCompound:activity |
activity:44456,
activity:227607,
activity:227608,
activity:227609,
activity:227610,
activity:227611,
activity:245947,
activity:245948,
activity:245949,
activity:245950,
activity:245951,
activity:284993,
activity:340424,
activity:434013,
activity:754913,
activity:754914,
activity:754915,
activity:760031,
activity:760032,
activity:760033,
activity:760034,
activity:760035,
activity:760036,
activity:938031,
activity:982802,
activity:1506327,
activity:1797158,
activity:1941569,
activity:1941771,
activity:1997218,
activity:2055373,
activity:2055417,
activity:2055471,
activity:2058677,
activity:2058691,
activity:2182653,
activity:2182654,
activity:2182693,
activity:2202432,
activity:2202433,
activity:2211995,
activity:2214707,
activity:2327759,
activity:2347235,
activity:2347240,
activity:2347241,
activity:2347245,
activity:2347246,
activity:2347247,
activity:2347248,
activity:2385355,
activity:2556738,
activity:2623134,
activity:2704884,
activity:3059246,
activity:3270755,
activity:3937154,
activity:4675066,
activity:4739315,
activity:6391355
|
