118396

Source:http://linkedlifedata.com/resource/chembl/compound/118396

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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/C20H20N2O5/c1-2-16-17(23)22(20(26)21-12-13-6-4-3-5-7-13)18(16)27-15-10-8-14(9-11-15)19(24)25/h3-11,16,18H,2,12H2,1H3,(H,21,26)(H,24,25)/t16-,18+/m1/s1
chemicalCompound:standardIn...	LPVMGHAIQBNBCR-AEFFLSMTSA-N
chemicalCompound:canonicalS...	CC[C@H]1[C@H](Oc2ccc(cc2)C(=O)O)N(C(=O)NCc3ccccc3)C1=O
chemicalCompound:molecularF...	C20 H20 N2 O5
chemicalCompound:moleculeId	118396
chemicalCompound:mwFreebase	368.383
chemicalCompound:alogp	3.257
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	95.94
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.295
chemicalCompound:acdLogP	2.43
chemicalCompound:acdLogD	-0.396
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	368.383
chemicalCompound:chemblId	CHEMBL308040
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:218396
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:769939, activity:769940, activity:1211740, activity:1211741, activity:1299439