106237

Source:http://linkedlifedata.com/resource/chembl/compound/106237

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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/C27H34FN3O5S/c1-17(2)13-31(14-18(3)4)27(36)21-9-20(11-29-12-21)26(35)30-23(10-25(33)34)24(32)16-37-15-19-5-7-22(28)8-6-19/h5-9,11-12,17-18,23H,10,13-16H2,1-4H3,(H,30,35)(H,33,34)/t23-/m0/s1
chemicalCompound:standardIn...	JLRKVFBOTOPQED-QHCPKHFHSA-N
chemicalCompound:canonicalS...	CC(C)CN(CC(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccc(F)cc2
chemicalCompound:molecularF...	C27 H34 F N3 O5 S
chemicalCompound:moleculeId	106237
chemicalCompound:mwFreebase	531.639
chemicalCompound:alogp	3.402
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	141.97
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.96
chemicalCompound:acdLogP	4.238
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	531.639
chemicalCompound:acdMostBpk...	2.332
chemicalCompound:chemblId	CHEMBL308465
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206237
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:349842, activity:349843