1236023

Source:http://linkedlifedata.com/resource/chembl/compound/1236023

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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/C25H26Cl2N2O2S/c26-21-6-7-23(22(27)16-21)31-14-13-29-11-8-19(9-12-29)25(30)28-24(20-10-15-32-17-20)18-4-2-1-3-5-18/h1-7,10,15-17,19,24H,8-9,11-14H2,(H,28,30)
chemicalCompound:standardIn...	KVTXSVAXRDTGNF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(OCCN2CCC(CC2)C(=O)NC(c3ccccc3)c4ccsc4)c(Cl)c1
chemicalCompound:molecularF...	C25H26Cl2N2O2S
chemicalCompound:moleculeId	1236023
chemicalCompound:mwFreebase	489.457
chemicalCompound:alogp	5.819
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.8
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.037
chemicalCompound:acdLogD	5.602
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	489.457
chemicalCompound:acdMostBpk...	7.718
chemicalCompound:chemblId	CHEMBL1895452
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1336023
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:6975574, activity:7263512, activity:8265125, activity:10422556