129831

Source:http://linkedlifedata.com/resource/chembl/compound/129831

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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/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
chemicalCompound:standardIn...	TXXPTEJSSVMAFL-YNEHKIRRSA-N
chemicalCompound:canonicalS...	CCC(CC)O[C@H]1C=C(C[C@H](NC(=N)N)[C@@H]1NC(=O)C)C(=O)O
chemicalCompound:molecularF...	C15H26N4O4
chemicalCompound:moleculeId	129831
chemicalCompound:mwFreebase	326.391
chemicalCompound:alogp	0.337
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	137.53
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.331
chemicalCompound:acdLogP	1.325
chemicalCompound:acdLogD	-1.174
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	326.391
chemicalCompound:acdMostBpk...	12.797
chemicalCompound:chemblId	CHEMBL81717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:229831
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:1118449, activity:2211497, activity:6322389, activity:6322399, activity:6322406