995979

Source:http://linkedlifedata.com/resource/chembl/compound/995979

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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/C23H20ClN5OS2/c1-3-11-29-20(18-7-4-15(2)19(24)13-18)27-28-23(29)32-14-16-5-8-17(9-6-16)21(30)26-22-25-10-12-31-22/h3-10,12-13H,1,11,14H2,2H3,(H,25,26,30)
chemicalCompound:standardIn...	GHVNLWJHYZBHBO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1Cl)c2nnc(SCc3ccc(cc3)C(=O)Nc4nccs4)n2CC=C
chemicalCompound:molecularF...	C23H20ClN5OS2
chemicalCompound:moleculeId	995979
chemicalCompound:mwFreebase	482.021
chemicalCompound:alogp	5.541
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	126.24
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.17
chemicalCompound:acdLogP	6.125
chemicalCompound:acdLogD	5.698
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	482.021
chemicalCompound:acdMostBpk...	2.363
chemicalCompound:chemblId	CHEMBL1572095
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1095979
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:3638046, activity:3729127, activity:3748390, activity:3816459, activity:3889317, activity:3998664, activity:4086261, activity:4164064, activity:4231829, activity:4354050, activity:4417573, activity:4684104, activity:4745781, activity:4795229, activity:4808521, activity:4878094, activity:4900468, activity:4923414, activity:5043928, activity:5341321, activity:5377684, activity:5492167, activity:5507727, activity:5639684, activity:5775282, activity:5790389, activity:5865045, activity:5970763, activity:6712177, activity:6877114, activity:7293803, activity:7329908, activity:7456967, activity:7526250, activity:8296302, activity:10784235