178124

Source:http://linkedlifedata.com/resource/chembl/compound/178124

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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/C29H39N3O6/c1-36-24-17-20(18-25(37-2)28(24)38-3)10-16-26(33)31-21-11-13-22(14-12-21)32-29(35)27(34)23(30)15-9-19-7-5-4-6-8-19/h10-14,16-19,23,27,34H,4-9,15,30H2,1-3H3,(H,31,33)(H,32,35)/b16-10+/t23-,27+/m1/s1
chemicalCompound:standardIn...	IMGVCZSILLUKID-NQTJHPBVSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CCC3CCCCC3)cc2)cc(OC)c1OC
chemicalCompound:molecularF...	C29 H39 N3 O6
chemicalCompound:moleculeId	178124
chemicalCompound:mwFreebase	525.636
chemicalCompound:alogp	3.85
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	132.14
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.887
chemicalCompound:acdLogP	3.866
chemicalCompound:acdLogD	1.573
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	525.636
chemicalCompound:acdMostBpk...	9.338
chemicalCompound:chemblId	CHEMBL110873
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:278124
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:825031, activity:825032, activity:825033