1014885

Source:http://linkedlifedata.com/resource/chembl/compound/1014885

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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/C28H26N4O3S/c1-17-9-11-19(12-10-17)26-30-27-23(13-22-20(15-33)14-29-18(2)25(22)35-27)28(31-26)36-16-24(34)32(3)21-7-5-4-6-8-21/h4-12,14,33H,13,15-16H2,1-3H3
chemicalCompound:standardIn...	GVBUNURHHMHLDC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C(=O)CSc1nc(nc2Oc3c(C)ncc(CO)c3Cc12)c4ccc(C)cc4)c5ccccc5
chemicalCompound:molecularF...	C28H26N4O3S
chemicalCompound:moleculeId	1014885
chemicalCompound:mwFreebase	498.596
chemicalCompound:alogp	4.852
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	113.74
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.156
chemicalCompound:acdLogP	3.172
chemicalCompound:acdLogD	3.172
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.596
chemicalCompound:acdMostBpk...	3.635
chemicalCompound:chemblId	CHEMBL1591001
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1114885
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:3979698, activity:4321249, activity:4471244, activity:5388264, activity:5766879, activity:5848161, activity:6821424, activity:7231186, activity:10608321