839102

Source:http://linkedlifedata.com/resource/chembl/compound/839102

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H14N2O2S/c22-18(12-24-19-7-3-4-10-20-19)21-13-8-9-15-14-5-1-2-6-16(14)23-17(15)11-13/h1-11H,12H2,(H,21,22)
chemicalCompound:standardIn...	WBLFHWXWXNSAHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSc1ccccn1)Nc2ccc3c(oc4ccccc34)c2
chemicalCompound:molecularF...	C19H14N2O2S
chemicalCompound:moleculeId	839102
chemicalCompound:mwFreebase	334.392
chemicalCompound:alogp	3.9
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	80.42
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.98
chemicalCompound:acdLogP	4.633
chemicalCompound:acdLogD	4.633
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.392
chemicalCompound:acdMostBpk...	2.444
chemicalCompound:chemblId	CHEMBL1415218
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:939102
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3817606, activity:3893276, activity:3967581, activity:4416707, activity:4503589, activity:4796340, activity:4903415, activity:5330914, activity:5943104, activity:6681445, activity:6733291, activity:6959752, activity:7135905, activity:7376662, activity:7463766