|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H20O6/c1-13(2)6-7-25-14-4-5-15-19(8-14)26-11-17(22(15)23)16-9-20-21(28-12-27-20)10-18(16)24-3/h4-6,8-11H,7,12H2,1-3H3
|
|
chemicalCompound:standardIn... |
HIMSTRVEHVBQCS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc2OCOc2cc1C3=COc4cc(OCC=C(C)C)ccc4C3=O
|
|
chemicalCompound:molecularF... |
C22H20O6
|
|
chemicalCompound:moleculeId |
1287659
|
|
chemicalCompound:mwFreebase |
380.391
|
|
chemicalCompound:alogp |
4.067
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
63.22
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.269
|
|
chemicalCompound:acdLogD |
6.269
|
|
chemicalCompound:fullMwt |
380.391
|
|
chemicalCompound:chemblId |
CHEMBL1966368
|
|
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:8243684,
activity:8254061,
activity:8303642,
activity:8318799,
activity:8404691,
activity:8424825,
activity:8440021,
activity:8482231,
activity:8524296,
activity:8580659,
activity:8661669,
activity:8681991,
activity:8772601,
activity:8779394,
activity:8809274,
activity:8907868,
activity:8975519,
activity:9070735,
activity:9076298,
activity:9099362,
activity:9101602,
activity:9192730,
activity:9236732,
activity:9292047,
activity:9297682,
activity:9364681,
activity:9370948,
activity:9443593,
activity:9454664,
activity:9521865,
activity:9695584,
activity:9705873,
activity:9716316,
activity:9796124,
activity:9867310,
activity:9896282,
activity:9929976,
activity:9967839,
activity:10029068,
activity:10040364,
activity:10085079,
activity:10153058,
activity:10176647,
activity:10217370,
activity:10254233,
activity:10261104,
activity:10276629,
activity:10372842,
activity:10402193,
activity:10446572,
activity:10498358,
activity:10599454,
activity:10704598,
activity:10797494
|
