406379

Source:http://linkedlifedata.com/resource/chembl/compound/406379

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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/C24H48N6O12/c1-8-13(28)16(34)18(36)24(39-8)42-21-19(41-23-14(29)17(35)15(33)12(7-26)40-23)9(27)6-10(20(21)38-5-4-31)30-22(37)11(32)2-3-25/h8-21,23-24,31-36H,2-7,25-29H2,1H3,(H,30,37)/t8-,9+,10-,11+,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,23-,24+/m1/s1
chemicalCompound:standardIn...	GOSGUQRGYGMKJH-XDLQGRPCSA-N
chemicalCompound:canonicalS...	C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](NC(=O)[C@@H](O)CCN)[C@@H]2OCCO)[C@H](O)[C@@H](O)[C@@H]1N
chemicalCompound:molecularF...	C24 H48 N6 O12
chemicalCompound:moleculeId	406379
chemicalCompound:mwFreebase	612.671
chemicalCompound:alogp	-7.958
chemicalCompound:hba	17
chemicalCompound:hbd	12
chemicalCompound:psa	326.72
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.107
chemicalCompound:acdLogP	-5.035
chemicalCompound:acdLogD	-11.379
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	612.671
chemicalCompound:acdMostBpk...	9.523
chemicalCompound:chemblId	CHEMBL239458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506379
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:1988985, activity:1988994, activity:1989001, activity:1989009