543570

Source:http://linkedlifedata.com/resource/chembl/compound/543570

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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:669910
chemicalCompound:standardIn...	InChI=1S/C23H29N5OS.ClH/c1-26(23(29)18-8-2-4-10-20(18)24)12-6-7-13-27-14-16-28(17-15-27)22-19-9-3-5-11-21(19)30-25-22;/h2-5,8-11H,6-7,12-17,24H2,1H3;1H
chemicalCompound:standardIn...	WFWMTLRBWWJXGH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(CCCCN1CCN(CC1)c2nsc3ccccc23)C(=O)c4ccccc4N
chemicalCompound:molecularF...	C23H30ClN5OS
chemicalCompound:moleculeId	543570
chemicalCompound:mwFreebase	423.574
chemicalCompound:alogp	3.039
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	93.94
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.026
chemicalCompound:acdLogD	1.282
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.035
chemicalCompound:acdMostBpk...	8.254
chemicalCompound:chemblId	CHEMBL555644
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:643570
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:1025142, activity:1025143, activity:1025144, activity:1025145, activity:1025146