194885

Source:http://linkedlifedata.com/resource/chembl/compound/194885

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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/C32H44N4O6/c1-7-14-25(28(37)31(40)33-22(6)24-17-12-9-13-18-24)34-29(38)26(19-23-15-10-8-11-16-23)35-30(39)27(20(2)3)36-32(41)42-21(4)5/h8-13,15-18,20-22,25-27H,7,14,19H2,1-6H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)/t22-,25?,26?,27-/m0/s1
chemicalCompound:standardIn...	SNHDTEKTHWUSBJ-BKYGCCQFSA-N
chemicalCompound:canonicalS...	CCCC(NC(=O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c2ccccc2
chemicalCompound:molecularF...	C32 H44 N4 O6
chemicalCompound:moleculeId	194885
chemicalCompound:mwFreebase	580.715
chemicalCompound:alogp	4.591
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	142.69
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.172
chemicalCompound:acdLogP	5.864
chemicalCompound:acdLogD	5.863
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	580.715
chemicalCompound:chemblId	CHEMBL118137
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294885
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:937878, activity:937879, activity:937880, activity:937881