253199

Source:http://linkedlifedata.com/resource/chembl/compound/253199

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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/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1
chemicalCompound:standardIn...	SZRMSHBRXJWBFG-RUZDIDTESA-N
chemicalCompound:canonicalS...	Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)c5ccccc5)CC3)ccc2s1
chemicalCompound:molecularF...	C29 H32 N4 O3 S
chemicalCompound:moleculeId	253199
chemicalCompound:mwFreebase	516.654
chemicalCompound:alogp	3.898
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	106.17
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.924
chemicalCompound:acdLogP	3.969
chemicalCompound:acdLogD	3.939
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	516.654
chemicalCompound:acdMostBpk...	6.488
chemicalCompound:chemblId	CHEMBL152968
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:353199
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:31872, activity:31873, activity:31874, activity:31875, activity:31876, activity:31877, activity:31878, activity:31879