396482

Source:http://linkedlifedata.com/resource/chembl/compound/396482

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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/C26H29N3O4/c1-16(2)24-14-19(20-5-3-4-6-22(20)27-24)13-17-7-9-18(10-8-17)25(30)28-23-11-12-33-15-21(23)26(31)29-32/h3-10,14,16,21,23,32H,11-13,15H2,1-2H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1
chemicalCompound:standardIn...	OXYLZBTXCBUSJH-JTHBVZDNSA-N
chemicalCompound:canonicalS...	CC(C)c1cc(Cc2ccc(cc2)C(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)c4ccccc4n1
chemicalCompound:molecularF...	C26 H29 N3 O4
chemicalCompound:moleculeId	396482
chemicalCompound:mwFreebase	447.526
chemicalCompound:alogp	3.415
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	100.55
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.231
chemicalCompound:acdLogP	3.207
chemicalCompound:acdLogD	3.18
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.526
chemicalCompound:acdMostBpk...	6.09
chemicalCompound:chemblId	CHEMBL401455
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496482
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:1965614, activity:1965642