945844

Source:http://linkedlifedata.com/resource/chembl/compound/945844

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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:587268
chemicalCompound:standardIn...	InChI=1S/C29H31N2.ClHO4/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6;2-1(3,4)5/h7-19H,1-6H3;(H,2,3,4,5)/q+1;/p-1
chemicalCompound:standardIn...	TUROROWBICYGHB-UHFFFAOYSA-M
chemicalCompound:canonicalS...	CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)\C(C)(C)c5ccccc15.[O-]Cl(=O)(=O)=O
chemicalCompound:molecularF...	C29H31ClN2O4
chemicalCompound:moleculeId	945844
chemicalCompound:mwFreebase	407.57
chemicalCompound:alogp	6.619
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	6.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.284
chemicalCompound:acdLogD	0.284
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	507.02
chemicalCompound:acdMostBpk...	1.121
chemicalCompound:chemblId	CHEMBL1521960
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1045844
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:3619668, activity:3643909, activity:3660022, activity:3694199, activity:3696623, activity:3762337, activity:3765719, activity:3770376, activity:3795512, activity:3837925, activity:3847083, activity:3892704, activity:3903154, activity:3929608, activity:3955589, activity:3971724, activity:3982977, activity:4021009, activity:4053029, activity:4077786, activity:4078117, activity:4091617, activity:4127746, activity:4155211, activity:4243997, activity:4281417, activity:4302817, activity:4341162, activity:4372558, activity:4389186, activity:4414110, activity:4453821, activity:4477153, activity:4508774, activity:4580717, activity:4628023, activity:4631623, activity:4682526, activity:4720817, activity:4762844, activity:4799588, activity:4823345, activity:4832327, activity:4915484, activity:4921044, activity:4933888, activity:4988514, activity:4996853, activity:5012031, activity:5020378, activity:5055550, activity:5515271, activity:5540073, activity:5597975, activity:5719626, activity:5802181, activity:5815923, activity:5869262, activity:5911368, activity:5962571, activity:5965673, activity:6560661, activity:7181527, activity:7377658