434831

Source:http://linkedlifedata.com/resource/chembl/compound/434831

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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/C23H28F3N3O6/c1-13-11-18(30)34-17-12-14(8-9-15(13)17)28-19(31)16(29-21(33)35-22(2,3)4)7-5-6-10-27-20(32)23(24,25)26/h8-9,11-12,16H,5-7,10H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t16-/m0/s1
chemicalCompound:standardIn...	UFFVNATYYXBMGO-INIZCTEOSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)Oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12
chemicalCompound:molecularF...	C23H28F3N3O6
chemicalCompound:moleculeId	434831
chemicalCompound:mwFreebase	499.48
chemicalCompound:alogp	3.615
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	122.83
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.208
chemicalCompound:acdLogP	3.612
chemicalCompound:acdLogD	3.611
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	499.48
chemicalCompound:chemblId	CHEMBL402788
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:534831
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:2118159, activity:2118160, activity:2401884, activity:2401885