113530

Source:http://linkedlifedata.com/resource/chembl/compound/113530

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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/C21H27FN4O4/c1-14(24-29-3)10-16-6-8-25(9-7-16)20-5-4-17(11-19(20)22)26-13-18(30-21(26)28)12-23-15(2)27/h4-5,10-11,18H,6-9,12-13H2,1-3H3,(H,23,27)/b24-14+/t18-/m0/s1
chemicalCompound:standardIn...	KOWKQIPLNYFXLH-MAKCPWPFSA-N
chemicalCompound:canonicalS...	CO\N=C(/C)\C=C1CCN(CC1)c2ccc(cc2F)N3C[C@H](CNC(=O)C)OC3=O
chemicalCompound:molecularF...	C21 H27 F N4 O4
chemicalCompound:moleculeId	113530
chemicalCompound:mwFreebase	418.462
chemicalCompound:alogp	1.932
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	83.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.376
chemicalCompound:acdLogD	1.222
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.462
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL302035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213530
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:188220, activity:188221, activity:188222, activity:188223, activity:188224, activity:188225, activity:188226, activity:188227, activity:188228, activity:188229, activity:188230