241786

Source:http://linkedlifedata.com/resource/chembl/compound/241786

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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/C33H47F2N9O6/c1-18(2)14-25(30(48)41-24(28(37)46)4-3-13-40-33(38)39)43-32(50)27(16-20-7-11-22(35)12-8-20)44-31(49)26(42-29(47)23(36)17-45)15-19-5-9-21(34)10-6-19/h5-12,18,23-27,45H,3-4,13-17,36H2,1-2H3,(H2,37,46)(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H4,38,39,40)
chemicalCompound:standardIn...	SXWGVHDNMNEMRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CC(NC(=O)C(Cc1ccc(F)cc1)NC(=O)C(Cc2ccc(F)cc2)NC(=O)C(N)CO)C(=O)NC(CCCN=C(N)N)C(=O)N
chemicalCompound:molecularF...	C33 H47 F2 N9 O6
chemicalCompound:moleculeId	241786
chemicalCompound:mwFreebase	703.78
chemicalCompound:alogp	0.063
chemicalCompound:hba	10
chemicalCompound:hbd	9
chemicalCompound:psa	270.14
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.037
chemicalCompound:acdLogP	1.36
chemicalCompound:acdLogD	-0.707
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	703.78
chemicalCompound:acdMostBpk...	13.522
chemicalCompound:chemblId	CHEMBL356499
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:341786
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:1280065