201051

Source:http://linkedlifedata.com/resource/chembl/compound/201051

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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:658174
chemicalCompound:standardIn...	InChI=1S/C29H37N3O2.C2HF3O2/c30-23-15-11-20(12-16-23)19-31-29(34)27-10-5-17-32(27)28(33)18-26-24-8-3-1-6-21(24)13-14-22-7-2-4-9-25(22)26;3-2(4,5)1(6)7/h1-4,6-9,20,23,26-27H,5,10-19,30H2,(H,31,34);(H,6,7)/t20?,23?,27-;/m0./s1
chemicalCompound:standardIn...	VVCWSNRRANJSGV-QPNGRYJLSA-N
chemicalCompound:canonicalS...	NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC3c4ccccc4CCc5ccccc35)CC1.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C29 H37 N3 O2 . C2 H F3 O2
chemicalCompound:moleculeId	201051
chemicalCompound:mwFreebase	459.623
chemicalCompound:alogp	3.938
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.43
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.64
chemicalCompound:acdLogD	-0.142
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	573.646
chemicalCompound:acdMostBpk...	10.499
chemicalCompound:chemblId	CHEMBL340088
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301051
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:832127, activity:832128