|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
|
|
chemicalCompound:standardIn... |
KQPYUDDGWXQXHS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2C(=O)C=CC(=O)c12
|
|
chemicalCompound:molecularF... |
C10H6O3
|
|
chemicalCompound:moleculeId |
64331
|
|
chemicalCompound:mwFreebase |
174.153
|
|
chemicalCompound:alogp |
1.515
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
54.37
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.589
|
|
chemicalCompound:acdLogP |
1.68
|
|
chemicalCompound:acdLogD |
0.808
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
174.153
|
|
chemicalCompound:chemblId |
CHEMBL43612
|
|
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 |
JUGLONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:78444,
activity:78445,
activity:78446,
activity:78447,
activity:78448,
activity:78449,
activity:176390,
activity:652759,
activity:2033982,
activity:2033988,
activity:2120203,
activity:2123234,
activity:2123263,
activity:2123296,
activity:2123330,
activity:2407240,
activity:2407260,
activity:2407269,
activity:2407270,
activity:2434238,
activity:2434289,
activity:2434340,
activity:2434403,
activity:2434454,
activity:2434478,
activity:2434529,
activity:2435622,
activity:3249363,
activity:3249391,
activity:3249419,
activity:3249447,
activity:3249475,
activity:3249503,
activity:3254914,
activity:3254998,
activity:3424512,
activity:3424529,
activity:3617865,
activity:3620048,
activity:3658430,
activity:3659983,
activity:3675927,
activity:3689090,
activity:3693019,
activity:3693229,
activity:3719219,
activity:3776249,
activity:3798979,
activity:3803290,
activity:3929321,
activity:3969569,
activity:3990039,
activity:4013860,
activity:4020897,
activity:4047933,
activity:4153386,
activity:4454862,
activity:4507232,
activity:4518120,
activity:4541808,
activity:4550299,
activity:4576684,
activity:4595103,
activity:4605074,
activity:4610572
|
