|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
|
|
chemicalCompound:standardIn... |
YYLKKYCXAOBSRM-JXMROGBWSA-N
|
|
chemicalCompound:canonicalS... |
O=C(N1CCNCC1)c2ccc(\C=C\c3n[nH]c4ccccc34)cc2
|
|
chemicalCompound:molecularF... |
C20H20N4O
|
|
chemicalCompound:moleculeId |
1248758
|
|
chemicalCompound:mwFreebase |
332.399
|
|
chemicalCompound:alogp |
2.723
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
61.02
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.71
|
|
chemicalCompound:acdLogP |
1.321
|
|
chemicalCompound:acdLogD |
0.9
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
332.399
|
|
chemicalCompound:acdMostBpk... |
8.344
|
|
chemicalCompound:chemblId |
CHEMBL1908397
|
|
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:7577535,
activity:7577536,
activity:7577537,
activity:7577538,
activity:7577539,
activity:7577540,
activity:7577541,
activity:7577542,
activity:7577543,
activity:7577544,
activity:7577545,
activity:7577546,
activity:7577547,
activity:7577548,
activity:7577549,
activity:7577550,
activity:7577551,
activity:7577552,
activity:7577553,
activity:7577554,
activity:7577555,
activity:7577556,
activity:7577557,
activity:7577558,
activity:7577559,
activity:7577560,
activity:7577561,
activity:7577562,
activity:7577563,
activity:7577564,
activity:7577565,
activity:7577566,
activity:7577567,
activity:7577568,
activity:7577569,
activity:7577570,
activity:7577571,
activity:7577572,
activity:7577573,
activity:7577574,
activity:7577575,
activity:7577576,
activity:7577577,
activity:7577578,
activity:7577579,
activity:7577580,
activity:7577581,
activity:7577582,
activity:7577583,
activity:7577584,
activity:7577585,
activity:7577586,
activity:7577587,
activity:7577588,
activity:7577589,
activity:7577590,
activity:7577591,
activity:7577592,
activity:7577593,
activity:7577594,
activity:7577595,
activity:7577596,
activity:7577597,
activity:7577598,
activity:7577599,
activity:7577600
|
