1068579

Source:http://linkedlifedata.com/resource/chembl/compound/1068579

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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/C36H36ClFN10O3/c1-44(2)32(49)21-47-20-22(17-41-47)19-45-11-13-46(14-12-45)31-16-29(30(37)18-40-31)36(51)42-25-7-3-23-4-10-27-33(35(39)50)43-48(34(27)28(23)15-25)26-8-5-24(38)6-9-26/h3,5-9,15-18,20H,4,10-14,19,21H2,1-2H3,(H2,39,50)(H,42,51)
chemicalCompound:standardIn...	FDTCEVMDYIUCHS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C(=O)Cn1cc(CN2CCN(CC2)c3cc(C(=O)Nc4ccc5CCc6c(nn(c7ccc(F)cc7)c6c5c4)C(=O)N)c(Cl)cn3)cn1
chemicalCompound:molecularF...	C36H36ClFN10O3
chemicalCompound:moleculeId	1068579
chemicalCompound:mwFreebase	711.188
chemicalCompound:alogp	4.559
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	147.51
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.218
chemicalCompound:acdLogP	1.985
chemicalCompound:acdLogD	1.978
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	711.188
chemicalCompound:acdMostBpk...	5.535
chemicalCompound:chemblId	CHEMBL1669602
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168579
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:5195729, activity:5195768, activity:5195807, activity:5195824, activity:5195842, activity:5195863