1018260

Source:http://linkedlifedata.com/resource/chembl/compound/1018260

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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/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12+
chemicalCompound:standardIn...	RLYGJKUXWYDHLJ-WYMLVPIESA-N
chemicalCompound:canonicalS...	Nc1c(sc2nc3\C(=C\c4occc4)\CCc3c(c5occc5)c12)C(=O)NCC6CCCO6
chemicalCompound:molecularF...	C25H23N3O4S
chemicalCompound:moleculeId	1018260
chemicalCompound:mwFreebase	461.533
chemicalCompound:alogp	4.136
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	131.76
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.978
chemicalCompound:acdLogP	2.253
chemicalCompound:acdLogD	2.25
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	461.533
chemicalCompound:acdMostBpk...	5.425
chemicalCompound:chemblId	CHEMBL1594376
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118260
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:3606027, activity:3673623, activity:3711227, activity:3903782, activity:3934574, activity:3956163, activity:3996283, activity:4011706, activity:4127198, activity:4211785, activity:4280193, activity:4302143, activity:4337432, activity:4359452, activity:4431899, activity:4513318, activity:4537648, activity:4547641, activity:4586944, activity:4604712, activity:4717955, activity:4807725, activity:4851813, activity:4868962, activity:4888384, activity:4909970, activity:5360188, activity:5505585, activity:5520165, activity:5567927, activity:5569198, activity:5584900, activity:5639323, activity:5710677, activity:5788852, activity:5791800, activity:5855829, activity:6444120, activity:6474119, activity:6559446, activity:6653329, activity:6748567, activity:6812134, activity:6845766, activity:6996272, activity:7036703, activity:7191618, activity:7200159, activity:7249802, activity:7290530, activity:7392068, activity:7505375, activity:10423224