1249223

Source:http://linkedlifedata.com/resource/chembl/compound/1249223

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:1249223_Ambylan_TRADE_NAME, synonym:1249223_Aminocyclitol_TRADE_NAME, synonym:1249223_Apralan_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8?,9-,10-,11+,12+,13+,14-,15-,16-,17-,18?,19+,20-,21-/m1/s1
chemicalCompound:standardIn...	XZNUGFQTQHRASN-PSDDYZKFSA-N
chemicalCompound:canonicalS...	CN[C@H]1[C@@H](O)C2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)CC2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O
chemicalCompound:molecularF...	C21H41N5O11
chemicalCompound:moleculeId	1249223
chemicalCompound:mwFreebase	539.577
chemicalCompound:alogp	-7.023
chemicalCompound:hba	16
chemicalCompound:hbd	11
chemicalCompound:psa	283.64
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.907
chemicalCompound:acdLogP	-3.427
chemicalCompound:acdLogD	-7.564
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	539.577
chemicalCompound:acdMostBpk...	9.483
chemicalCompound:chemblId	CHEMBL1909452
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349223
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:220125, activity:220126, activity:220127, activity:220128, activity:1272828, activity:1272829, activity:1272830, activity:1272831, activity:1272832, activity:1847778, activity:1847783, activity:1847788, activity:2624189, activity:2680233, activity:2680250, activity:2680638, activity:2680655, activity:2680672, activity:2680676, activity:2680677, activity:3453720, activity:3453737, activity:3453754, activity:3511097, activity:3511111, activity:3511125, activity:3511139, activity:5296391, activity:5296392, activity:5296393