34175

Source:http://linkedlifedata.com/resource/chembl/compound/34175

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:34175_SCH-49999_RESEARCH_CODE, synonym:34175_SCH-50001_RESEARCH_CODE, synonym:34175_SCH-50002_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C36H40F2N8O3/c1-3-26(2)46-35(47)45(25-41-46)31-7-5-29(6-8-31)42-14-16-43(17-15-42)30-9-11-32(12-10-30)48-20-27-19-36(49-21-27,22-44-24-39-23-40-44)33-13-4-28(37)18-34(33)38/h4-13,18,23-27H,3,14-17,19-22H2,1-2H3/t26-,27+,36-/m0/s1
chemicalCompound:standardIn...	VBXIEZVFKHTISY-QYKOWSPFSA-N
chemicalCompound:canonicalS...	CC[C@H](C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4
chemicalCompound:molecularF...	C36H40F2N8O3
chemicalCompound:moleculeId	34175
chemicalCompound:mwFreebase	670.751
chemicalCompound:alogp	5.607
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	91.56
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.433
chemicalCompound:acdLogD	5.36
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	670.751
chemicalCompound:acdMostBpk...	6.493
chemicalCompound:chemblId	CHEMBL287489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134175
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SCH-49999
chemicalCompound:activity	activity:271599, activity:271600, activity:271601, activity:271602, activity:271603, activity:271604, activity:271605, activity:271606, activity:271607, activity:271608, activity:271609, activity:271610, activity:271611, activity:271612, activity:281331, activity:281332, activity:281333, activity:281334, activity:281335, activity:281336, activity:281337, activity:281338, activity:281339, activity:281340, activity:827963, activity:827964, activity:827965, activity:827966, activity:827967, activity:827968, activity:827969, activity:827970, activity:827971, activity:827972