423773

Source:http://linkedlifedata.com/resource/chembl/compound/423773

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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/C31H38F2N4O5S/c1-3-35-26-15-23(16-27(18-26)37-9-4-5-10-43(37,40)41)31(39)36-29(14-22-11-24(32)17-25(33)12-22)30(38)20-34-19-21-7-6-8-28(13-21)42-2/h6-8,11-13,15-18,29-30,34-35,38H,3-5,9-10,14,19-20H2,1-2H3,(H,36,39)/t29-,30+/m0/s1
chemicalCompound:standardIn...	OYRJVJLVRLQYHL-XZWHSSHBSA-N
chemicalCompound:canonicalS...	CCNc1cc(cc(c1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc3cccc(OC)c3)N4CCCCS4(=O)=O
chemicalCompound:molecularF...	C31 H38 F2 N4 O5 S
chemicalCompound:moleculeId	423773
chemicalCompound:mwFreebase	616.719
chemicalCompound:alogp	3.777
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	128.37
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.818
chemicalCompound:acdLogP	3
chemicalCompound:acdLogD	1.902
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	616.719
chemicalCompound:acdMostBpk...	8.462
chemicalCompound:chemblId	CHEMBL409766
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:523773
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:2077021, activity:2077043, activity:2077065, activity:2077087, activity:2077101, activity:2077115, activity:2077126