835615

Source:http://linkedlifedata.com/resource/chembl/compound/835615

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1042736
chemicalCompound:standardIn...	InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1
chemicalCompound:standardIn...	PAZSYTCTHYSIAO-WVFSJLEKSA-N
chemicalCompound:canonicalS...	Cl.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45
chemicalCompound:molecularF...	C24H24ClN3O6S
chemicalCompound:moleculeId	835615
chemicalCompound:mwFreebase	481.521
chemicalCompound:alogp	1.865
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	153.32
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.153
chemicalCompound:acdLogP	3.623
chemicalCompound:acdLogD	3.544
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	517.982
chemicalCompound:acdMostBpk...	6.809
chemicalCompound:chemblId	CHEMBL1411731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:935615
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:34993
chemicalCompound:activity	activity:4224340, activity:4746999, activity:5771183, activity:6949383