941636

Source:http://linkedlifedata.com/resource/chembl/compound/941636

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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/C28H23Cl2N5O/c1-18-26(19(2)34(32-18)16-22-24(29)14-9-15-25(22)30)31-28(36)23-17-35(21-12-7-4-8-13-21)33-27(23)20-10-5-3-6-11-20/h3-15,17H,16H2,1-2H3,(H,31,36)
chemicalCompound:standardIn...	LZJDGVGNWDEWIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c3cn(nc3c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C28H23Cl2N5O
chemicalCompound:moleculeId	941636
chemicalCompound:mwFreebase	516.421
chemicalCompound:alogp	6.778
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	64.74
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.195
chemicalCompound:acdLogP	3.673
chemicalCompound:acdLogD	3.673
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	516.421
chemicalCompound:acdMostBpk...	1.958
chemicalCompound:chemblId	CHEMBL1517752
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1041636
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:3626626, activity:3630123, activity:3766681, activity:3954266, activity:4007306, activity:4075586, activity:4326022, activity:4420129, activity:4437594, activity:4561977, activity:4809983, activity:4855325, activity:4925666, activity:4936509, activity:4994495, activity:5330405, activity:5396392, activity:5406818, activity:5465294, activity:5505803, activity:5516249, activity:5536338, activity:5654071, activity:5731670, activity:5803186, activity:5919489, activity:6023377, activity:6038876, activity:6049962, activity:6060747, activity:6067406, activity:6686435, activity:6892115, activity:7053510, activity:7156605, activity:7353019, activity:7499540, activity:10306608, activity:10539114, activity:10608085