|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
|
|
chemicalCompound:standardIn... |
NIJJYAXOARWZEE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCC(CCC)C(=O)O
|
|
chemicalCompound:molecularF... |
C8H16O2
|
|
chemicalCompound:moleculeId |
15217
|
|
chemicalCompound:mwFreebase |
144.211
|
|
chemicalCompound:alogp |
2.749
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.29
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.816
|
|
chemicalCompound:acdLogP |
2.579
|
|
chemicalCompound:acdLogD |
0.023
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
144.211
|
|
chemicalCompound:chemblId |
CHEMBL109
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
VALPROIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1983
|
|
chemicalCompound:activity |
activity:50060,
activity:50061,
activity:50062,
activity:50063,
activity:66653,
activity:66654,
activity:66655,
activity:66656,
activity:66657,
activity:66658,
activity:66659,
activity:91442,
activity:91443,
activity:91444,
activity:91445,
activity:92744,
activity:92745,
activity:92746,
activity:92747,
activity:92748,
activity:92749,
activity:99742,
activity:99743,
activity:99744,
activity:99745,
activity:99746,
activity:99747,
activity:125098,
activity:125099,
activity:125100,
activity:125101,
activity:125102,
activity:125103,
activity:125104,
activity:125105,
activity:193918,
activity:346067,
activity:346068,
activity:346069,
activity:373763,
activity:373764,
activity:373765,
activity:373766,
activity:373767,
activity:387915,
activity:387916,
activity:391856,
activity:391857,
activity:391858,
activity:391859,
activity:391860,
activity:391861,
activity:412059,
activity:412060,
activity:412061,
activity:412062
|
