90242

Source:http://linkedlifedata.com/resource/chembl/compound/90242

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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/C36H40N2O5S/c1-22-23(2)33-31(24(3)32(22)41-21-26-10-7-6-8-11-26)29(36(4,5)43-33)20-38-17-9-12-28(19-38)42-27-15-13-25(14-16-27)18-30-34(39)37-35(40)44-30/h6-8,10-11,13-16,18,28-29H,9,12,17,19-21H2,1-5H3,(H,37,39,40)/b30-18-/t28-,29?/m1/s1
chemicalCompound:standardIn...	VCBUSSFRFSIRMS-DWMIEGSOSA-N
chemicalCompound:canonicalS...	Cc1c(C)c2OC(C)(C)C(CN3CCC[C@H](C3)Oc4ccc(\C=C\5/SC(=O)NC5=O)cc4)c2c(C)c1OCc6ccccc6
chemicalCompound:molecularF...	C36 H40 N2 O5 S
chemicalCompound:moleculeId	90242
chemicalCompound:mwFreebase	612.778
chemicalCompound:alogp	7.507
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	102.4
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.556
chemicalCompound:acdLogP	6.861
chemicalCompound:acdLogD	5.477
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	612.778
chemicalCompound:acdMostBpk...	8.608
chemicalCompound:chemblId	CHEMBL293313
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190242
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:1030239, activity:1030240, activity:1038807, activity:1038808