844312

Source:http://linkedlifedata.com/resource/chembl/compound/844312

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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/C20H27NO4/c21-20(23)18-10-17(16-4-2-1-3-5-16)11-19(25-18)24-13-15-8-6-14(12-22)7-9-15/h6-10,16-17,19,22H,1-5,11-13H2,(H2,21,23)/t17-,19+/m0/s1
chemicalCompound:standardIn...	QRBJYWAFDJHZPG-PKOBYXMFSA-N
chemicalCompound:canonicalS...	NC(=O)C1=C[C@@H](C[C@H](OCc2ccc(CO)cc2)O1)C3CCCCC3
chemicalCompound:molecularF...	C20H27NO4
chemicalCompound:moleculeId	844312
chemicalCompound:mwFreebase	345.433
chemicalCompound:alogp	2.746
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	81.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.351
chemicalCompound:acdLogD	2.351
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.433
chemicalCompound:chemblId	CHEMBL1420428
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:944312
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:3694502, activity:3812439, activity:3853325, activity:3953095, activity:4125062, activity:4370291, activity:4708095, activity:4982820, activity:5032980, activity:5455732, activity:5617580, activity:5680037, activity:5923008, activity:6557897, activity:6782015, activity:7167617, activity:7284140, activity:7422772, activity:7554710, activity:7557182