144702

Source:http://linkedlifedata.com/resource/chembl/compound/144702

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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/C30H54N6O9/c1-19(2)18-21-20(25(38)36-43)12-11-17-44-28(41)32-15-9-8-14-23(34-24(21)37)27(40)35-22(26(39)31-6)13-7-10-16-33-29(42)45-30(3,4)5/h19-23,43H,7-18H2,1-6H3,(H,31,39)(H,32,41)(H,33,42)(H,34,37)(H,35,40)(H,36,38)/t20-,21+,22+,23-/m0/s1
chemicalCompound:standardIn...	FDSGQPBOQIRQNZ-AFXVXQJMSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
chemicalCompound:molecularF...	C30 H54 N6 O9
chemicalCompound:moleculeId	144702
chemicalCompound:mwFreebase	642.785
chemicalCompound:alogp	1.928
chemicalCompound:hba	9
chemicalCompound:hbd	7
chemicalCompound:psa	213.28
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.178
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.993
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	642.785
chemicalCompound:chemblId	CHEMBL327639
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:244702
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:1228919, activity:1228920