|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H18O5/c1-21-13-7-8-15(17(20)10-13)16(19)9-5-12-4-6-14(22-2)11-18(12)23-3/h4-11,20H,1-3H3/b9-5+
|
|
chemicalCompound:standardIn... |
ZTIPWOFLPVWZDX-WEVVVXLNSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(C(=O)\C=C\c2ccc(OC)cc2OC)c(O)c1
|
|
chemicalCompound:molecularF... |
C18 H18 O5
|
|
chemicalCompound:moleculeId |
429774
|
|
chemicalCompound:mwFreebase |
314.333
|
|
chemicalCompound:alogp |
3.41
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
64.99
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
7.256
|
|
chemicalCompound:acdLogP |
4.331
|
|
chemicalCompound:acdLogD |
3.953
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
314.333
|
|
chemicalCompound:chemblId |
CHEMBL260624
|
|
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:2153157,
activity:3825767,
activity:3835439,
activity:4032611,
activity:4361782,
activity:4535467,
activity:4549938,
activity:4700098,
activity:4705398,
activity:4781819,
activity:4970678,
activity:5386235,
activity:5612392,
activity:5679814,
activity:5805796,
activity:5910344,
activity:6538788,
activity:6732338,
activity:7035917,
activity:7189280,
activity:7377736
|
