Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C13H16ClN3O2/c1-3-19-13(18)16-12-15-11(8-17(12)2)9-6-4-5-7-10(9)14/h4-7,11H,3,8H2,1-2H3,(H,15,16,18)
chemicalCompound:standardIn...
VRTLNUTULYRDSQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCOC(=O)NC1=NC(CN1C)c2ccccc2Cl
chemicalCompound:molecularF...
C13 H16 Cl N3 O2
chemicalCompound:moleculeId
261804
chemicalCompound:mwFreebase
281.738
chemicalCompound:alogp
2.707
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
53.93
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
8.928
chemicalCompound:acdLogP
2.363
chemicalCompound:acdLogD
1.914
chemicalCompound:molecularS...
chemicalCompound:fullMwt
281.738
chemicalCompound:acdMostBpk...
7.67
chemicalCompound:chemblId
CHEMBL346362
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