361774

Source:http://linkedlifedata.com/resource/chembl/compound/361774

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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/C25H33N5O4/c1-3-14-29-22-20(23(31)30(15-4-2)25(29)33)27-21(28-22)18-10-12-19(13-11-18)26-24(32)34-16-17-8-6-5-7-9-17/h5-9,18-19H,3-4,10-16H2,1-2H3,(H,26,32)(H,27,28)/t18-,19-
chemicalCompound:standardIn...	GNKVWLPYAHCCPN-WGSAOQKQSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@@H]3CC[C@H](CC3)NC(=O)OCc4ccccc4
chemicalCompound:molecularF...	C25 H33 N5 O4
chemicalCompound:moleculeId	361774
chemicalCompound:mwFreebase	467.561
chemicalCompound:alogp	4.27
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	107.63
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.914
chemicalCompound:acdLogP	4.584
chemicalCompound:acdLogD	4.57
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.561
chemicalCompound:acdMostBpk...	2.049
chemicalCompound:chemblId	CHEMBL274199
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:461774
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:1781390, activity:1781411, activity:1781438, activity:1781456, activity:1781460