|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H14N2O2.ClH/c1-19-14-10-6-5-9-13(14)18-16-17-11-15(20-16)12-7-3-2-4-8-12;/h2-11H,1H3,(H,17,18);1H
|
|
chemicalCompound:standardIn... |
IHXLWHUWFVFLCY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.COc1ccccc1Nc2oc(cn2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H15ClN2O2
|
|
chemicalCompound:moleculeId |
1157693
|
|
chemicalCompound:mwFreebase |
266.295
|
|
chemicalCompound:alogp |
3.612
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
47.29
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.327
|
|
chemicalCompound:acdLogD |
3.327
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
302.755
|
|
chemicalCompound:acdMostBpk... |
2.871
|
|
chemicalCompound:chemblId |
CHEMBL1794062
|
|
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:1516766,
activity:1516767,
activity:8087548,
activity:8087549,
activity:8087550,
activity:8087551,
activity:8087552,
activity:8087553,
activity:8087554,
activity:8087555,
activity:8087556,
activity:8087557,
activity:8087558,
activity:8087559,
activity:8087560,
activity:8087561,
activity:8087562,
activity:8087563,
activity:8087564,
activity:8087565,
activity:8087566,
activity:8087567,
activity:8087568,
activity:8087569,
activity:8087570,
activity:8087571,
activity:8087572,
activity:8087573,
activity:8087574,
activity:8087575,
activity:8087576,
activity:8087577,
activity:8087578,
activity:8087579,
activity:8087580,
activity:8087581,
activity:8087582,
activity:8087583,
activity:8087584,
activity:8087585,
activity:8087586,
activity:8087587,
activity:8087588,
activity:8087589,
activity:8087590,
activity:8087591,
activity:8087592,
activity:8087593,
activity:8087594,
activity:8087595,
activity:8087596,
activity:8087597,
activity:8087598,
activity:8087599,
activity:8087600,
activity:8087601,
activity:8087602,
activity:8087603,
activity:8087604,
activity:8087605,
activity:8087606,
activity:8087607,
activity:8087608,
activity:8087609,
activity:8087610,
activity:8087611
|
