511261

Source:http://linkedlifedata.com/resource/chembl/compound/511261

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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/C16H17Cl2N5O2/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)
chemicalCompound:standardIn...	OVPNQJVDAFNBDN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3
chemicalCompound:molecularF...	C16H17Cl2N5O2
chemicalCompound:moleculeId	511261
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	382.244
chemicalCompound:acdMostBpk...	9.629
chemicalCompound:chemblId	CHEMBL445813
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:611261
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:2568857, activity:2568888, activity:2568909, activity:2568923, activity:2568927, activity:2568929, activity:2568931, activity:2568932, activity:2568933, activity:2568934, activity:2568935, activity:2568936, activity:2568937, activity:2568938, activity:2568939, activity:2568940, activity:2568941, activity:2568942, activity:2568943, activity:2568944, activity:2568945, activity:2568946, activity:2568947, activity:2568948, activity:7593506, activity:7593507, activity:7593508, activity:7593509, activity:7593510, activity:7593511, activity:7593512, activity:7593513, activity:7593514, activity:7593515, activity:7593516, activity:7593517, activity:7593518, activity:7593519, activity:7593520, activity:7593521, activity:7593522, activity:7593523, activity:7593524, activity:7593525, activity:7593526, activity:7593527, activity:7593528, activity:7593529, activity:7593530, activity:7593531, activity:7593532, activity:7593533, activity:7593534, activity:7593535, activity:7593536, activity:7593537, activity:7593538, activity:7593539, activity:7593540, activity:7593541, activity:7593542, activity:7593543, activity:7593544, activity:7593545, activity:7593546, activity:7593547