88099

Source:http://linkedlifedata.com/resource/chembl/compound/88099

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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/C34H39N5O4/c1-2-3-19-38-28(21-24-11-6-4-7-12-24)30(40)31(41)29(22-25-13-8-5-9-14-25)39(34(38)43)23-26-15-10-16-27(20-26)32(42)37-33-35-17-18-36-33/h4-18,20,28-31,40-41H,2-3,19,21-23H2,1H3,(H2,35,36,37,42)/t28-,29-,30+,31+/m1/s1
chemicalCompound:standardIn...	DNHYOPVNRBAZMG-VKONIRKNSA-N
chemicalCompound:canonicalS...	CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc4cccc(c4)C(=O)Nc5ncc[nH]5)C1=O
chemicalCompound:molecularF...	C34 H39 N5 O4
chemicalCompound:moleculeId	88099
chemicalCompound:mwFreebase	581.705
chemicalCompound:alogp	4.571
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	121.79
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.87
chemicalCompound:acdLogP	5.488
chemicalCompound:acdLogD	5.455
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	581.705
chemicalCompound:acdMostBpk...	5.983
chemicalCompound:chemblId	CHEMBL57707
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188099
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:60213, activity:60214, activity:60215, activity:60216, activity:60217, activity:60218, activity:60219, activity:60220