969618

Source:http://linkedlifedata.com/resource/chembl/compound/969618

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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:1047260
chemicalCompound:standardIn...	InChI=1S/C22H25N3O3S2.ClH/c1-24(2)10-6-11-25(21(26)9-12-29-16-7-4-3-5-8-16)22-23-17-13-18-19(28-15-27-18)14-20(17)30-22;/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3;1H
chemicalCompound:standardIn...	LLHAZJSYRPYHIO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCCN(C(=O)CCSc1ccccc1)c2nc3cc4OCOc4cc3s2
chemicalCompound:molecularF...	C22H26ClN3O3S2
chemicalCompound:moleculeId	969618
chemicalCompound:mwFreebase	443.582
chemicalCompound:alogp	4.057
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	108.43
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.663
chemicalCompound:acdLogD	-0.185
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	480.043
chemicalCompound:acdMostBpk...	9.229
chemicalCompound:chemblId	CHEMBL1545734
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1069618
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:3660560, activity:3750829, activity:3783574, activity:3959778, activity:4061131, activity:4167827, activity:4311320, activity:4685194, activity:5007671, activity:5570408, activity:5634977, activity:5758389, activity:5839726, activity:6459197, activity:6530266, activity:6827985, activity:6960246, activity:6997419, activity:7067271, activity:7139439, activity:7295886, activity:7346422, activity:7503968, activity:7551037