Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C22H27NO2.ClH/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17;/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3;1H
chemicalCompound:standardIn...
HAVGFWRWZMEOLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.COc1ccc(cc1)C(OC2CC3CCC(C2)N3C)c4ccccc4
chemicalCompound:molecularF...
C22H28ClNO2
chemicalCompound:moleculeId
551481
chemicalCompound:mwFreebase
337.455
chemicalCompound:alogp
3.858
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
21.7
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.163
chemicalCompound:acdLogD
1.359
chemicalCompound:molecularS...
chemicalCompound:fullMwt
373.916
chemicalCompound:acdMostBpk...
10.511
chemicalCompound:chemblId
CHEMBL557818
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