43784

Source:http://linkedlifedata.com/resource/chembl/compound/43784

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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/C29H38N2O6/c32-26(33)18-35-23-12-5-4-11-20(23)16-21-24-13-14-25(37-24)27(21)29-31-22(17-36-29)28(34)30-15-7-6-10-19-8-2-1-3-9-19/h4-5,11-12,17,19,21,24-25,27H,1-3,6-10,13-16,18H2,(H,30,34)(H,32,33)
chemicalCompound:standardIn...	NYWFCFZRUBBVMD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COc1ccccc1CC2C3CCC(O3)C2c4occ(n4)C(=O)NCCCCC5CCCCC5
chemicalCompound:molecularF...	C29 H38 N2 O6
chemicalCompound:moleculeId	43784
chemicalCompound:mwFreebase	510.622
chemicalCompound:alogp	4.941
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.89
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.211
chemicalCompound:acdLogP	4.95
chemicalCompound:acdLogD	1.335
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	510.622
chemicalCompound:chemblId	CHEMBL30832
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:143784
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:587773, activity:587774, activity:587775