|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,19H,(H,21,23)/b15-9-
|
|
chemicalCompound:standardIn... |
KMHXVUCYJPXSIV-DHDCSXOGSA-N
|
|
chemicalCompound:canonicalS... |
O=C1Nc2ccccc2/C/1=C/Nc3ccc(cc3)n4cncn4
|
|
chemicalCompound:molecularF... |
C17H13N5O
|
|
chemicalCompound:moleculeId |
1157687
|
|
chemicalCompound:mwFreebase |
303.318
|
|
chemicalCompound:alogp |
1.614
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
71.84
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
12.517
|
|
chemicalCompound:acdLogP |
1.31
|
|
chemicalCompound:acdLogD |
1.31
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.318
|
|
chemicalCompound:acdMostBpk... |
2.664
|
|
chemicalCompound:chemblId |
CHEMBL1794056
|
|
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:1297766,
activity:1297767,
activity:1297768,
activity:8062643,
activity:8062644,
activity:8062645,
activity:8062646,
activity:8062647,
activity:8062648,
activity:8062649,
activity:8062650,
activity:8062651,
activity:8062652,
activity:8062653,
activity:8062654,
activity:8062655,
activity:8062656,
activity:8062657,
activity:8062658,
activity:8062659,
activity:8062660,
activity:8062661,
activity:8062662,
activity:8062663,
activity:8062664,
activity:8062665,
activity:8062666,
activity:8062667,
activity:8062668,
activity:8062669,
activity:8062670,
activity:8062671,
activity:8062672,
activity:8062673,
activity:8062674,
activity:8062675,
activity:8062676,
activity:8062677,
activity:8062678,
activity:8062679,
activity:8062680,
activity:8062681,
activity:8062682,
activity:8062683,
activity:8062684,
activity:8062685,
activity:8062686,
activity:8062687,
activity:8062688,
activity:8062689,
activity:8062690,
activity:8062691,
activity:8062692,
activity:8062693,
activity:8062694,
activity:8062695,
activity:8062696,
activity:8062697,
activity:8062698,
activity:8062699,
activity:8062700,
activity:8062701,
activity:8062702,
activity:8062703,
activity:8062704,
activity:8062705
|
