423765

Source:http://linkedlifedata.com/resource/chembl/compound/423765

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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/C32H39F3N4O4S/c1-22(2)37-27-17-25(18-28(19-27)39-13-6-7-14-44(39,42)43)31(41)38-29(16-23-9-4-3-5-10-23)30(40)21-36-20-24-11-8-12-26(15-24)32(33,34)35/h3-5,8-12,15,17-19,22,29-30,36-37,40H,6-7,13-14,16,20-21H2,1-2H3,(H,38,41)/t29-,30+/m0/s1
chemicalCompound:standardIn...	BQOZRTKLLZQOLL-XZWHSSHBSA-N
chemicalCompound:canonicalS...	CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc3cccc(c3)C(F)(F)F)N4CCCCS4(=O)=O
chemicalCompound:molecularF...	C32 H39 F3 N4 O4 S
chemicalCompound:moleculeId	423765
chemicalCompound:mwFreebase	632.737
chemicalCompound:alogp	4.702
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	119.14
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.963
chemicalCompound:acdLogP	3.786
chemicalCompound:acdLogD	2.87
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	632.737
chemicalCompound:acdMostBpk...	8.315
chemicalCompound:chemblId	CHEMBL401474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:523765
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:2077029, activity:2077051, activity:2077073, activity:2077095, activity:2077109, activity:2077120, activity:2077131