511189

Source:http://linkedlifedata.com/resource/chembl/compound/511189

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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:511261
chemicalCompound:standardIn...	InChI=1S/C16H17Cl2N5O2.ClH/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9;/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24);1H
chemicalCompound:standardIn...	PAOFPNGYBWGKCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3
chemicalCompound:molecularF...	C16H18Cl3N5O2
chemicalCompound:moleculeId	511189
chemicalCompound:mwFreebase	382.244
chemicalCompound:alogp	1.599
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	98.91
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.096
chemicalCompound:acdLogP	2.775
chemicalCompound:acdLogD	0.598
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	418.705
chemicalCompound:acdMostBpk...	9.629
chemicalCompound:chemblId	CHEMBL497478
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:611189
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:2568949