|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
|
|
chemicalCompound:standardIn... |
KXDAEFPNCMNJSK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NC(=O)c1ccccc1
|
|
chemicalCompound:molecularF... |
C7H7NO
|
|
chemicalCompound:moleculeId |
1371
|
|
chemicalCompound:mwFreebase |
121.137
|
|
chemicalCompound:alogp |
0.832
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
43.09
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.751
|
|
chemicalCompound:acdLogD |
0.751
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
121.137
|
|
chemicalCompound:chemblId |
CHEMBL267373
|
|
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 |
BENZAMIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:67667,
activity:67668,
activity:296042,
activity:669747,
activity:669748,
activity:669749,
activity:671254,
activity:756776,
activity:756777,
activity:756778,
activity:756779,
activity:756780,
activity:756781,
activity:820895,
activity:1506325,
activity:2351378,
activity:3491079,
activity:3902879,
activity:3916886,
activity:3931069,
activity:3941949,
activity:4021098,
activity:4084762,
activity:4358494,
activity:4515055,
activity:4615129,
activity:4650761,
activity:4723238,
activity:4723588,
activity:4745978,
activity:4833127,
activity:4852151,
activity:4865153,
activity:4925852,
activity:4989938,
activity:5043864,
activity:5058899,
activity:5315896,
activity:5328761,
activity:5346285,
activity:5572064,
activity:6307321,
activity:6307334,
activity:6307396,
activity:6307397,
activity:6806887,
activity:6823442,
activity:7453652,
activity:7488003,
activity:8026327
|
