371520

Source:http://linkedlifedata.com/resource/chembl/compound/371520

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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/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,20-,21+/m1/s1
chemicalCompound:standardIn...	XEQLFNPSYWZPOW-PEILNVOGSA-N
chemicalCompound:canonicalS...	NCCC(O)C(=O)N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H]1O
chemicalCompound:molecularF...	C21 H41 N5 O12
chemicalCompound:moleculeId	371520
chemicalCompound:mwFreebase	555.577
chemicalCompound:alogp	-7.915
chemicalCompound:hba	16
chemicalCompound:hbd	12
chemicalCompound:psa	311.7
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.107
chemicalCompound:acdLogP	-4.484
chemicalCompound:acdLogD	-9.778
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	555.577
chemicalCompound:acdMostBpk...	9.523
chemicalCompound:chemblId	CHEMBL376923
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:471520
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BUTIROSIN
chemicalCompound:activity	activity:1828249, activity:1828257, activity:1828264, activity:1828271, activity:1828278, activity:1828285