436495

Source:http://linkedlifedata.com/resource/chembl/compound/436495

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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/C22H20Cl2N4O5/c1-28-22(31)18(17(33-2)11-25-28)13-8-6-12(7-9-13)10-16(20(29)27-32)26-21(30)19-14(23)4-3-5-15(19)24/h3-9,11,16,32H,10H2,1-2H3,(H,26,30)(H,27,29)/t16-/m0/s1
chemicalCompound:standardIn...	RVZYPCNWXCGBGD-INIZCTEOSA-N
chemicalCompound:canonicalS...	COC1=C(C(=O)N(C)N=C1)c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)NO)cc2
chemicalCompound:molecularF...	C22 H20 Cl2 N4 O5
chemicalCompound:moleculeId	436495
chemicalCompound:mwFreebase	491.324
chemicalCompound:alogp	2.511
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	120.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.001
chemicalCompound:acdLogP	1.804
chemicalCompound:acdLogD	1.798
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.324
chemicalCompound:chemblId	CHEMBL256839
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:536495
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:2101852, activity:2101866