188894

Source:http://linkedlifedata.com/resource/chembl/compound/188894

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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/C29H49N5O7/c1-18(2)14-15-34(33-27(37)25(20(5)6)32-29(39)41-8)17-23(35)22(16-21-12-10-9-11-13-21)30-26(36)24(19(3)4)31-28(38)40-7/h9-13,18-20,22-25,35H,14-17H2,1-8H3,(H,30,36)(H,31,38)(H,32,39)(H,33,37)/t22-,23-,24-,25-/m0/s1
chemicalCompound:standardIn...	GHHGVZYSDDFVCE-QORCZRPOSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCC(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)C
chemicalCompound:molecularF...	C29 H49 N5 O7
chemicalCompound:moleculeId	188894
chemicalCompound:mwFreebase	579.729
chemicalCompound:alogp	3.343
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	158.32
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.037
chemicalCompound:acdLogP	2.625
chemicalCompound:acdLogD	2.624
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	579.729
chemicalCompound:acdMostBpk...	2.44
chemicalCompound:chemblId	CHEMBL326347
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288894
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:228854, activity:228855, activity:228856, activity:228857, activity:228858