|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H18N2O2/c1-22-14-7-5-13(6-8-14)19-18-4-3-11-21(18)17-10-9-15(23-2)12-16(17)20-19/h3-12,19-20H,1-2H3
|
|
chemicalCompound:standardIn... |
LBJJKESXWWPXKL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2Nc3cc(OC)ccc3n4cccc24
|
|
chemicalCompound:molecularF... |
C19H18N2O2
|
|
chemicalCompound:moleculeId |
952925
|
|
chemicalCompound:mwFreebase |
306.358
|
|
chemicalCompound:alogp |
4.032
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
35.42
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.819
|
|
chemicalCompound:acdLogD |
4.819
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
306.358
|
|
chemicalCompound:acdMostBpk... |
1.459
|
|
chemicalCompound:chemblId |
CHEMBL1529041
|
|
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:3703693,
activity:3824030,
activity:3941626,
activity:4459786,
activity:4622590,
activity:4713335,
activity:4820849,
activity:5003144,
activity:5369181,
activity:5528216,
activity:5624548,
activity:5828590,
activity:5985082,
activity:6472846,
activity:6647494,
activity:6773804,
activity:6861891,
activity:7194054,
activity:7374526,
activity:7510367,
activity:7559787
|
