1102616

Source:http://linkedlifedata.com/resource/chembl/compound/1102616

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:1102616_SU-14813_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
chemicalCompound:standardIn...	CTNPALGJUAXMMC-PMFHANACSA-N
chemicalCompound:canonicalS...	Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN4CCOCC4
chemicalCompound:molecularF...	C23H27FN4O4
chemicalCompound:moleculeId	1102616
chemicalCompound:mwFreebase	442.483
chemicalCompound:alogp	1.477
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	106.69
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.697
chemicalCompound:acdLogP	0.64
chemicalCompound:acdLogD	0.586
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.483
chemicalCompound:acdMostBpk...	6.521
chemicalCompound:chemblId	CHEMBL1721885
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1202616
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:2890838, activity:2890876, activity:2890914, activity:2890952, activity:2890990, activity:2891028, activity:2891066, activity:2891104, activity:2891142, activity:2891180, activity:2891218, activity:2891239, activity:2891277, activity:2891315, activity:2891353, activity:2891390, activity:2891428, activity:2891466, activity:2891504, activity:2891542, activity:2891580, activity:2891618, activity:2891656, activity:2892038, activity:2892076, activity:2892114, activity:2892152, activity:2892190, activity:2892228, activity:2892266, activity:2892304, activity:2892342, activity:2892380, activity:2892418, activity:2892480, activity:2892496, activity:2892534, activity:2892572, activity:2892610, activity:2892648, activity:2892686, activity:2892724, activity:2892762, activity:2892800, activity:2892838, activity:2893234, activity:2893272, activity:2893310, activity:2893348, activity:2893386, activity:2893424, activity:2893462, activity:2893500, activity:2893538, activity:2893576, activity:2893614, activity:2893661, activity:2893699, activity:2894081, activity:2894119, activity:2894157, activity:2894195, activity:2894233, activity:2894271, activity:2894309