294542

Source:http://linkedlifedata.com/resource/chembl/compound/294542

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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/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
chemicalCompound:standardIn...	SSJBBNZWJHOPCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CCCCOc2cc(ccc2NC(=O)c3ccccc3c4ccccc4)C(=O)N5CCCCc6sccc56)CC1
chemicalCompound:molecularF...	C37 H42 N4 O3 S
chemicalCompound:moleculeId	294542
chemicalCompound:mwFreebase	622.819
chemicalCompound:alogp	6.364
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	93.36
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.252
chemicalCompound:acdLogP	6.022
chemicalCompound:acdLogD	5.347
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	622.819
chemicalCompound:acdMostBpk...	7.675
chemicalCompound:chemblId	CHEMBL368354
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394542
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:864906, activity:864907, activity:864908, activity:864909, activity:864910, activity:864911