188419

Source:http://linkedlifedata.com/resource/chembl/compound/188419

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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/C38H51N5O7/c1-25(2)32(40-36(47)49-6)34(45)42-43(23-27-18-20-29(21-19-27)28-16-12-9-13-17-28)24-31(44)30(22-26-14-10-8-11-15-26)39-35(46)33(38(3,4)5)41-37(48)50-7/h8-21,25,30-33,44H,22-24H2,1-7H3,(H,39,46)(H,40,47)(H,41,48)(H,42,45)/t30-,31-,32-,33+/m0/s1
chemicalCompound:standardIn...	DXYWQVONJOEGHT-ZWDYZTTJSA-N
chemicalCompound:canonicalS...	COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccc3
chemicalCompound:molecularF...	C38 H51 N5 O7
chemicalCompound:moleculeId	188419
chemicalCompound:mwFreebase	689.841
chemicalCompound:alogp	5.138
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	158.32
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.026
chemicalCompound:acdLogP	4.682
chemicalCompound:acdLogD	4.681
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	689.841
chemicalCompound:acdMostBpk...	1.053
chemicalCompound:chemblId	CHEMBL113824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288419
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:256770, activity:256771, activity:256772, activity:256773, activity:256774