|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H14N2O3/c26-23(15-6-2-1-3-7-15)16-10-11-17-18(14-16)25-22(20-9-5-13-28-20)21(24-17)19-8-4-12-27-19/h1-14H
|
|
chemicalCompound:standardIn... |
JMIHJEGISAXHQH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(c1ccccc1)c2ccc3nc(c4occc4)c(nc3c2)c5occc5
|
|
chemicalCompound:molecularF... |
C23H14N2O3
|
|
chemicalCompound:moleculeId |
960762
|
|
chemicalCompound:mwFreebase |
366.369
|
|
chemicalCompound:alogp |
5.382
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
69.13
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.043
|
|
chemicalCompound:acdLogD |
6.043
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
366.369
|
|
chemicalCompound:chemblId |
CHEMBL1536878
|
|
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:3607092,
activity:3621741,
activity:3674292,
activity:3716173,
activity:3836044,
activity:3942960,
activity:4011367,
activity:4070157,
activity:4126389,
activity:4197307,
activity:4332535,
activity:4361630,
activity:4464376,
activity:4515345,
activity:4540795,
activity:4588380,
activity:4601390,
activity:4717979,
activity:4855837,
activity:4913801,
activity:4918666,
activity:5368443,
activity:5392914,
activity:5505622,
activity:5525950,
activity:5536122,
activity:5567963,
activity:5704480,
activity:5775815,
activity:5816330,
activity:5889617,
activity:5972380,
activity:6444629,
activity:6474744,
activity:6611642,
activity:6726802,
activity:6838542,
activity:6853406,
activity:6872699,
activity:6884748,
activity:7011559,
activity:7021624,
activity:7040697,
activity:7074212,
activity:7287136,
activity:7341450,
activity:7384789
|
