|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H14N2O3/c1-11(22)15-7-8-16(24-15)17-18(12(2)23)21-10-9-13-5-3-4-6-14(13)19(21)20-17/h3-10H,1-2H3
|
|
chemicalCompound:standardIn... |
RLVXSLRIIAXFQH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)c1oc(cc1)c2nc3c4ccccc4ccn3c2C(=O)C
|
|
chemicalCompound:molecularF... |
C19H14N2O3
|
|
chemicalCompound:moleculeId |
1003375
|
|
chemicalCompound:mwFreebase |
318.326
|
|
chemicalCompound:alogp |
3.02
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.58
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.686
|
|
chemicalCompound:acdLogD |
2.686
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
318.326
|
|
chemicalCompound:acdMostBpk... |
2.346
|
|
chemicalCompound:chemblId |
CHEMBL1579491
|
|
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:activity |
activity:3657618,
activity:3690152,
activity:3716819,
activity:3854807,
activity:3868640,
activity:4138219,
activity:4537343,
activity:4543332,
activity:4801328,
activity:4909546,
activity:5329514,
activity:6712801,
activity:6802726,
activity:6876907,
activity:6910320,
activity:7002408,
activity:7015870,
activity:7055851,
activity:7311417,
activity:7354671,
activity:7355689,
activity:7362745,
activity:7448183
|
