293860

Source:http://linkedlifedata.com/resource/chembl/compound/293860

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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/C24H31NO4/c1-3-29-23(27)18-12-20-21-10-16-6-7-17(28-2)11-19(16)24(20,13-22(18)26)8-9-25(21)14-15-4-5-15/h6-7,11,15,18,20-21H,3-5,8-10,12-14H2,1-2H3/t18-,20?,21?,24?/m0/s1
chemicalCompound:standardIn...	OMQFDHLDCXPTBM-SQPDQVTPSA-N
chemicalCompound:canonicalS...	CCOC(=O)[C@H]1CC2C3Cc4ccc(OC)cc4C2(CCN3CC5CC5)CC1=O
chemicalCompound:molecularF...	C24 H31 N O4
chemicalCompound:moleculeId	293860
chemicalCompound:mwFreebase	397.507
chemicalCompound:alogp	3.252
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	55.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.362
chemicalCompound:acdLogP	4.015
chemicalCompound:acdLogD	2.993
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.507
chemicalCompound:acdMostBpk...	8.339
chemicalCompound:chemblId	CHEMBL175841
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:393860
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:904333, activity:904334