|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H23NO5/c1-25-22(26)20-6-4-5-7-21(20)23(27,16-8-12-18(29-2)13-9-16)24(25,28)17-10-14-19(30-3)15-11-17/h4-15,27-28H,1-3H3
|
|
chemicalCompound:standardIn... |
PAGDRAMRAMMAND-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2(O)N(C)C(=O)c3ccccc3C2(O)c4ccc(OC)cc4
|
|
chemicalCompound:molecularF... |
C24H23NO5
|
|
chemicalCompound:moleculeId |
1314326
|
|
chemicalCompound:mwFreebase |
405.443
|
|
chemicalCompound:alogp |
3.115
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
79.23
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.78
|
|
chemicalCompound:acdLogP |
2.881
|
|
chemicalCompound:acdLogD |
2.881
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
405.443
|
|
chemicalCompound:chemblId |
CHEMBL1993035
|
|
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:8231044,
activity:8259170,
activity:8319478,
activity:8413874,
activity:8482603,
activity:8506807,
activity:8520289,
activity:8581338,
activity:8597016,
activity:8652693,
activity:8662437,
activity:8669226,
activity:8773171,
activity:8784441,
activity:8805424,
activity:8812251,
activity:8908443,
activity:8937929,
activity:8976220,
activity:9026125,
activity:9081225,
activity:9086583,
activity:9106450,
activity:9193317,
activity:9228552,
activity:9230862,
activity:9294895,
activity:9371422,
activity:9435202,
activity:9448357,
activity:9450958,
activity:9546883,
activity:9692024,
activity:9725665,
activity:9767994,
activity:9872382,
activity:9901385,
activity:9939434,
activity:9972742,
activity:9989913,
activity:10005414,
activity:10089834,
activity:10175285,
activity:10177186,
activity:10193144,
activity:10204658,
activity:10307375,
activity:10335915,
activity:10382096,
activity:10424092,
activity:10451581,
activity:10503394,
activity:10600161,
activity:10615951,
activity:10709580,
activity:10786987,
activity:10806576
|
