686943

Source:http://linkedlifedata.com/resource/chembl/compound/686943

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:691610
chemicalCompound:standardIn...	InChI=1S/C26H36N8O4S.C2HF3O2/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31);(H,6,7)/t21-,22+;/m1./s1
chemicalCompound:standardIn...	KDQQKKGHZKKJPD-NSLUPJTDSA-N
chemicalCompound:canonicalS...	NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=N)N.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C28H37F3N8O6S
chemicalCompound:moleculeId	686943
chemicalCompound:mwFreebase	556.68
chemicalCompound:alogp	0.124
chemicalCompound:hba	6
chemicalCompound:hbd	7
chemicalCompound:psa	215.73
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.01
chemicalCompound:acdLogP	-1.147
chemicalCompound:acdLogD	-4.153
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	670.704
chemicalCompound:acdMostBpk...	13.506
chemicalCompound:chemblId	CHEMBL1215083
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:786943
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:3402428, activity:3402429, activity:3402430, activity:3402443, activity:3402444, activity:3402451