1231669

Source:http://linkedlifedata.com/resource/chembl/compound/1231669

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1248054
chemicalCompound:standardIn...	InChI=1S/C26H29N3O6.C2HF3O2/c1-28(20(30)16-35-18-12-8-5-9-13-18)15-19-21-22(24(32)29(2)23(21)31)26(27-19,25(33)34-3)14-17-10-6-4-7-11-17;3-2(4,5)1(6)7/h4-13,19,21-22,27H,14-16H2,1-3H3;(H,6,7)/t19-,21+,22-,26-;/m1./s1
chemicalCompound:standardIn...	SNMBODNZCFNXHW-HZUBDVDSSA-N
chemicalCompound:canonicalS...	COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)COc3ccccc3)[C@H]4[C@@H]1C(=O)N(C)C4=O.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C28H30F3N3O8
chemicalCompound:moleculeId	1231669
chemicalCompound:mwFreebase	479.525
chemicalCompound:alogp	1.294
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	105.25
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	593.548
chemicalCompound:acdMostBpk...	5.198
chemicalCompound:chemblId	CHEMBL1891098
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1331669
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:6608391, activity:6757140