189407

Source:http://linkedlifedata.com/resource/chembl/compound/189407

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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/C30H31NO4/c32-24-13-16-26-27(21-24)35-30(33)29(22-9-3-1-4-10-22)28(26)23-11-14-25(15-12-23)34-20-8-7-19-31-17-5-2-6-18-31/h1,3-4,9-16,21,32H,2,5-8,17-20H2
chemicalCompound:standardIn...	RMVCQXKXNXSVHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)c4ccc(OCCCCN5CCCCC5)cc4
chemicalCompound:molecularF...	C30 H31 N O4
chemicalCompound:moleculeId	189407
chemicalCompound:mwFreebase	469.571
chemicalCompound:alogp	6.296
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.707
chemicalCompound:acdLogP	5.474
chemicalCompound:acdLogD	3.205
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	469.571
chemicalCompound:acdMostBpk...	9.644
chemicalCompound:chemblId	CHEMBL115060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289407
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:881338, activity:881339, activity:881340