161675

Source:http://linkedlifedata.com/resource/chembl/compound/161675

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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/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27+/m0/s1
chemicalCompound:standardIn...	DCRIIMMZVJPZAH-VPMXTDFASA-N
chemicalCompound:canonicalS...	CN1C2CCC1[C@H]([C@H](C2)OC(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)OCc5ccccc5
chemicalCompound:molecularF...	C29 H29 F2 N O3
chemicalCompound:moleculeId	161675
chemicalCompound:mwFreebase	477.542
chemicalCompound:alogp	5.674
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.265
chemicalCompound:acdLogD	3.443
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	477.542
chemicalCompound:acdMostBpk...	9.239
chemicalCompound:chemblId	CHEMBL316634
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:261675
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:466200, activity:466201, activity:469007, activity:469008, activity:469009