1122746

Source:http://linkedlifedata.com/resource/chembl/compound/1122746

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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:243840
chemicalCompound:standardIn...	InChI=1S/C24H35ClN2O2.C4H4O4/c1-26(20-8-3-2-4-9-20)22(28)23(12-13-23)24(29)14-17-27(18-15-24)16-11-19-7-5-6-10-21(19)25;5-3(6)1-2-4(7)8/h5-7,10,20,29H,2-4,8-9,11-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
chemicalCompound:standardIn...	RTVGVIZPIRRQQL-BTJKTKAUSA-N
chemicalCompound:canonicalS...	CN(C1CCCCC1)C(=O)C2(CC2)C3(O)CCN(CCc4ccccc4Cl)CC3.OC(=O)\C=C/C(=O)O
chemicalCompound:molecularF...	C28H39ClN2O6
chemicalCompound:moleculeId	1122746
chemicalCompound:mwFreebase	419
chemicalCompound:alogp	4.058
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	43.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.575
chemicalCompound:acdLogD	2.452
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	535.072
chemicalCompound:acdMostBpk...	8.445
chemicalCompound:chemblId	CHEMBL1744175
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222746
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:262270, activity:262271, activity:262272