371527

Source:http://linkedlifedata.com/resource/chembl/compound/371527

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:371527_Sisomicin_INN
chemicalCompound:standardIn...	InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
chemicalCompound:standardIn...	URWAJWIAIPFPJE-YFMIWBNJSA-N
chemicalCompound:canonicalS...	CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O
chemicalCompound:molecularF...	C19H37N5O7
chemicalCompound:moleculeId	371527
chemicalCompound:mwFreebase	447.526
chemicalCompound:alogp	-4.685
chemicalCompound:hba	12
chemicalCompound:hbd	8
chemicalCompound:psa	213.72
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.288
chemicalCompound:acdLogP	-3.325
chemicalCompound:acdLogD	-8.233
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	447.526
chemicalCompound:acdMostBpk...	10.843
chemicalCompound:chemblId	CHEMBL221886
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:471527
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	SISOMICIN
chemicalCompound:activity	activity:154220, activity:214103, activity:214104, activity:214105, activity:214106, activity:938071, activity:938072, activity:938073, activity:938074, activity:938075, activity:1828243, activity:1828251, activity:1828258, activity:1828265, activity:1828272, activity:1828279, activity:2349495, activity:2349500, activity:2672637, activity:2672638, activity:2680228, activity:2680245, activity:2680633, activity:2680650, activity:2680667, activity:3482124, activity:3482125, activity:3482126, activity:3482127, activity:3482128, activity:3482129, activity:3482130, activity:5079706, activity:5079795, activity:5080957, activity:5081714, activity:5081963, activity:5146494, activity:5146495, activity:5146496, activity:5146497, activity:5146498, activity:5312812, activity:5312816, activity:5312820, activity:5312824, activity:5312828, activity:5312832, activity:5312836, activity:5312840, activity:5312844, activity:5313850, activity:5313854, activity:5313858, activity:5313862, activity:5313866, activity:5313870, activity:5313874, activity:5313878, activity:5313882, activity:5313886, activity:5313890, activity:5313894, activity:5313898