186205

Source:http://linkedlifedata.com/resource/chembl/compound/186205

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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/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1
chemicalCompound:standardIn...	RQDGBNLSKUOAJD-SFTDATJTSA-N
chemicalCompound:canonicalS...	C[C@H](N1CCN(C[C@@H]1C)C2(C)CCN(CC2)C(=O)c3c(C)cc[n+]([O-])c3C)c4ccc(cc4)C(F)(F)F
chemicalCompound:molecularF...	C28 H37 F3 N4 O2
chemicalCompound:moleculeId	186205
chemicalCompound:mwFreebase	518.614
chemicalCompound:alogp	3.572
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	52.25
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.32
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	518.614
chemicalCompound:acdMostBpk...	7.712
chemicalCompound:chemblId	CHEMBL322251
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:286205
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:157095, activity:157096, activity:157097, activity:157098, activity:157099, activity:157100, activity:157101, activity:420421, activity:420422, activity:420423, activity:420424, activity:420425, activity:420426, activity:420427, activity:420428, activity:420429, activity:420430, activity:420431, activity:420432, activity:420433, activity:420434, activity:420435, activity:420436, activity:617100