923189

Source:http://linkedlifedata.com/resource/chembl/compound/923189

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H22ClN3O2S/c26-19-8-2-1-7-18(19)24(30)27-17-13-15-28(16-14-17)25(31)29-20-9-3-5-11-22(20)32-23-12-6-4-10-21(23)29/h1-12,17H,13-16H2,(H,27,30)
chemicalCompound:standardIn...	BTUMIUCIIPZDME-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccccc1C(=O)NC2CCN(CC2)C(=O)N3c4ccccc4Sc5ccccc35
chemicalCompound:molecularF...	C25H22ClN3O2S
chemicalCompound:moleculeId	923189
chemicalCompound:mwFreebase	463.979
chemicalCompound:alogp	4.716
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	77.95
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.51
chemicalCompound:acdLogP	4.83
chemicalCompound:acdLogD	4.83
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	463.979
chemicalCompound:chemblId	CHEMBL1499305
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1023189
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:3757632, activity:3876718, activity:4036755, activity:4141523, activity:4944421, activity:5476197, activity:5629416, activity:5866620, activity:6529283, activity:6835291, activity:6934016, activity:7042548, activity:7153291, activity:7197183, activity:7302762, activity:7521090