112205

Source:http://linkedlifedata.com/resource/chembl/compound/112205

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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/C30H40BrN3O5/c1-20(2)15-16-33-29(36)27(34-28(35)23-11-7-22(18-32)8-12-23)17-21-9-13-25(14-10-21)39-30(37)38-19-24-5-3-4-6-26(24)31/h3-6,9-10,13-14,20,22-23,27H,7-8,11-12,15-19,32H2,1-2H3,(H,33,36)(H,34,35)/t22?,23-,27?
chemicalCompound:standardIn...	SBTDATYDLBRGDP-IPKREUKDSA-N
chemicalCompound:canonicalS...	CC(C)CCNC(=O)C(Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)NC(=O)C3CCC(CN)CC3
chemicalCompound:molecularF...	C30 H40 Br N3 O5
chemicalCompound:moleculeId	112205
chemicalCompound:mwFreebase	602.56
chemicalCompound:alogp	5.727
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	119.74
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.821
chemicalCompound:acdLogD	2.15
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	602.56
chemicalCompound:acdMostBpk...	10.271
chemicalCompound:chemblId	CHEMBL304526
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212205
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:545180, activity:545181, activity:545182, activity:545183, activity:545184, activity:545185