1206631

Source:http://linkedlifedata.com/resource/chembl/compound/1206631

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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:477557
chemicalCompound:standardIn...	InChI=1S/C25H29ClN4O2.C2HF3O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32;3-2(4,5)1(6)7/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32);(H,6,7)/t16-,20-,21+;/m0./s1
chemicalCompound:standardIn...	CSRRVILQDRUEQA-YVJLIMIGSA-N
chemicalCompound:canonicalS...	C[C@@H](CN1CCC(CC1)N2C(=O)Nc3cc(Cl)ccc23)NC(=O)[C@@H]4C[C@H]4c5ccccc5.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C27H30ClF3N4O4
chemicalCompound:moleculeId	1206631
chemicalCompound:mwFreebase	452.976
chemicalCompound:alogp	3.285
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	64.68
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.106
chemicalCompound:acdLogP	3.409
chemicalCompound:acdLogD	2.82
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	567
chemicalCompound:acdMostBpk...	8.306
chemicalCompound:chemblId	CHEMBL1866060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1306631
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:6443400, activity:6445095, activity:6785888, activity:7154124, activity:7446575, activity:7446585