1281403

Source:http://linkedlifedata.com/resource/chembl/compound/1281403

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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/C27H27FN4O5/c1-27(16-36-21-9-6-18(7-10-21)24(29)30)15-31(2)22-11-8-20(13-23(22)37-27)32(25(33)26(34)35)14-17-4-3-5-19(28)12-17/h3-13H,14-16H2,1-2H3,(H3,29,30)(H,34,35)
chemicalCompound:standardIn...	DQCJRHMCCRKYTG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CC(C)(COc2ccc(cc2)C(=N)N)Oc3cc(ccc13)N(Cc4cccc(F)c4)C(=O)C(=O)O
chemicalCompound:molecularF...	C27H27FN4O5
chemicalCompound:moleculeId	1281403
chemicalCompound:mwFreebase	506.525
chemicalCompound:alogp	3.608
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	129.18
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.157
chemicalCompound:acdLogP	2.813
chemicalCompound:acdLogD	0.308
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	506.525
chemicalCompound:acdMostBpk...	12.049
chemicalCompound:chemblId	CHEMBL1952406
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1381403
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:8040611, activity:8040650, activity:8040688, activity:8040726, activity:8040765