297136

Source:http://linkedlifedata.com/resource/chembl/compound/297136

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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/C34H42N4S/c1-38(23-12-21-35-33-25-13-2-6-17-29(25)36-30-18-7-3-14-26(30)33)22-10-11-24-39-34-27-15-4-8-19-31(27)37-32-20-9-5-16-28(32)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,36)
chemicalCompound:standardIn...	MWTLPACFPNMFHP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCCCSc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
chemicalCompound:molecularF...	C34H42N4S
chemicalCompound:moleculeId	297136
chemicalCompound:mwFreebase	538.789
chemicalCompound:alogp	8.085
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	66.35
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.203
chemicalCompound:acdLogD	4.099
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	538.789
chemicalCompound:acdMostBpk...	9.318
chemicalCompound:chemblId	CHEMBL175555
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397136
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:1405439, activity:1405440, activity:1405441, activity:2341295, activity:2341312, activity:2341330