|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
|
|
chemicalCompound:standardIn... |
GUEIZVNYDFNHJU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
|
|
chemicalCompound:molecularF... |
C14H8O4
|
|
chemicalCompound:moleculeId |
19057
|
|
chemicalCompound:mwFreebase |
240.211
|
|
chemicalCompound:alogp |
2.324
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
74.6
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.538
|
|
chemicalCompound:acdLogP |
3.719
|
|
chemicalCompound:acdLogD |
3.478
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
240.211
|
|
chemicalCompound:chemblId |
CHEMBL17594
|
|
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 |
QUINIZARIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:897397,
activity:897398,
activity:897399,
activity:1033599,
activity:1033600,
activity:1033601,
activity:1502587,
activity:1502588,
activity:1502589,
activity:1868314,
activity:1868337,
activity:2177213,
activity:2177230,
activity:2177247,
activity:2434206,
activity:2434257,
activity:2434308,
activity:2434359,
activity:2434422,
activity:2434497,
activity:2435573,
activity:2435603,
activity:2482684,
activity:2482687,
activity:2482690,
activity:3208096,
activity:3208097,
activity:3208101,
activity:3208109,
activity:3208117,
activity:3634817,
activity:4065178,
activity:4379166,
activity:4527451,
activity:4582374,
activity:5137324,
activity:5137336,
activity:5979160,
activity:6437556,
activity:7564532,
activity:7564533,
activity:7564534,
activity:7564535,
activity:7564536,
activity:7564537,
activity:8290575,
activity:8340441,
activity:8351056,
activity:8370365,
activity:8458576,
activity:8500609,
activity:8543200,
activity:8608237,
activity:8619774,
activity:8687167,
activity:8693598,
activity:8724592,
activity:8744782,
activity:8832820,
activity:8868533,
activity:8973846,
activity:9003224,
activity:9036718,
activity:9052144,
activity:9133402
|
