334043

Source:http://linkedlifedata.com/resource/chembl/compound/334043

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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/C32H52F3N11O5/c1-2-3-13-22(44-26(48)20-11-5-4-6-12-20)28(50)45-23(14-7-8-17-36)29(51)46-24(16-10-19-42-31(39)40)27(49)43-21(25(47)32(33,34)35)15-9-18-41-30(37)38/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1
chemicalCompound:standardIn...	ZGBKGECPFATHHB-ZJZGAYNASA-N
chemicalCompound:canonicalS...	CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(F)(F)F
chemicalCompound:molecularF...	C32 H52 F3 N11 O5
chemicalCompound:moleculeId	334043
chemicalCompound:mwFreebase	727.821
chemicalCompound:alogp	0.842
chemicalCompound:hba	12
chemicalCompound:hbd	9
chemicalCompound:psa	288.29
chemicalCompound:rtb	25
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.891
chemicalCompound:acdLogP	1.819
chemicalCompound:acdLogD	-3.227
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	727.821
chemicalCompound:acdMostBpk...	13.402
chemicalCompound:chemblId	CHEMBL200294
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:434043
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:1662101