294104

Source:http://linkedlifedata.com/resource/chembl/compound/294104

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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/C24H42N4O8/c1-9-11-35-19(23(33)27-15(13(3)4)21(31)25-7)17(29)18(30)20(36-12-10-2)24(34)28-16(14(5)6)22(32)26-8/h9-10,13-20,29-30H,1-2,11-12H2,3-8H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t15-,16-,17+,18+,19+,20+/m0/s1
chemicalCompound:standardIn...	RZSATZZYACNEDC-VTYCOLDWSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](NC(=O)[C@H](OCC=C)[C@H](O)[C@@H](O)[C@@H](OCC=C)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
chemicalCompound:molecularF...	C24 H42 N4 O8
chemicalCompound:moleculeId	294104
chemicalCompound:mwFreebase	514.612
chemicalCompound:alogp	-0.704
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	175.31
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.398
chemicalCompound:acdLogP	4.074
chemicalCompound:acdLogD	4.074
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	514.612
chemicalCompound:chemblId	CHEMBL177262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394104
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:857739, activity:857740, activity:857741, activity:857742