200633

Source:http://linkedlifedata.com/resource/chembl/compound/200633

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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/C35H43N3O8S/c1-22-15-26(36)16-23(2)33(22)47(42,43)21-32(40)37-27(17-24-9-5-3-6-10-24)19-30(39)29(18-25-11-7-4-8-12-25)38-35(41)46-31-20-45-34-28(31)13-14-44-34/h3-12,15-16,27-31,34,39H,13-14,17-21,36H2,1-2H3,(H,37,40)(H,38,41)/t27-,28?,29-,30-,31-,34?/m0/s1
chemicalCompound:standardIn...	YMSAOHMKFPUFAI-PMFOINFDSA-N
chemicalCompound:canonicalS...	Cc1cc(N)cc(C)c1S(=O)(=O)CC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5
chemicalCompound:molecularF...	C35 H43 N3 O8 S
chemicalCompound:moleculeId	200633
chemicalCompound:mwFreebase	665.796
chemicalCompound:alogp	3.877
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	174.66
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.529
chemicalCompound:acdLogP	2.967
chemicalCompound:acdLogD	2.967
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	665.796
chemicalCompound:acdMostBpk...	1.354
chemicalCompound:chemblId	CHEMBL433025
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300633
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:75494, activity:75495, activity:75496