1088335

Source:http://linkedlifedata.com/resource/chembl/compound/1088335

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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:1219
chemicalCompound:standardIn...	InChI=1S/C27H38N2O4.ClH.H2O/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H;1H2
chemicalCompound:standardIn...	ICKXRKHJKXMFLR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
chemicalCompound:molecularF...	C27H41ClN2O5
chemicalCompound:moleculeId	1088335
chemicalCompound:mwFreebase	454.602
chemicalCompound:alogp	5.534
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	63.95
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.024
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	509.078
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL1707604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1188335
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:5560156, activity:7532632