401093

Source:http://linkedlifedata.com/resource/chembl/compound/401093

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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/C22H21ClN4O5S2/c1-34(31,32)26-12-16(17(13-26)25-22(30)18-9-10-19(23)33-18)24-21(29)14-5-7-15(8-6-14)27-11-3-2-4-20(27)28/h2-11,16-17H,12-13H2,1H3,(H,24,29)(H,25,30)/t16-,17+/m0/s1
chemicalCompound:standardIn...	RIWVVRAWKVPOCH-DLBZAZTESA-N
chemicalCompound:canonicalS...	CS(=O)(=O)N1C[C@H](NC(=O)c2ccc(cc2)N3C=CC=CC3=O)[C@@H](C1)NC(=O)c4ccc(Cl)s4
chemicalCompound:molecularF...	C22 H21 Cl N4 O5 S2
chemicalCompound:moleculeId	401093
chemicalCompound:mwFreebase	521.009
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	152.51
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.769
chemicalCompound:acdLogP	0.963
chemicalCompound:acdLogD	0.963
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	521.009
chemicalCompound:chemblId	CHEMBL235593
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:501093
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:1979745, activity:1979771, activity:1979798, activity:1979907