482533

Source:http://linkedlifedata.com/resource/chembl/compound/482533

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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:482533_KOPSIDINE A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C25H30N2O8/c1-31-14-7-5-6-13-17(14)27(21(29)34-4)24-9-8-22-15(32-2)12-16(26-11-10-23(13,24)18(22)26)35-19(22)25(24,30)20(28)33-3/h5-7,15-16,18-19,30H,8-12H2,1-4H3/t15-,16+,18+,19+,22-,23-,24+,25-/m1/s1
chemicalCompound:standardIn...	UYCLHXRXVKWWPD-LWNBEBGRSA-N
chemicalCompound:canonicalS...	CO[C@@H]1C[C@@H]2O[C@H]3[C@]14CC[C@@]5(N(C(=O)OC)c6c(OC)cccc6[C@@]57CCN2[C@@H]47)[C@]3(O)C(=O)OC
chemicalCompound:molecularF...	C25H30N2O8
chemicalCompound:moleculeId	482533
chemicalCompound:mwFreebase	486.514
chemicalCompound:alogp	0.92
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	107
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.36
chemicalCompound:acdLogP	0.524
chemicalCompound:acdLogD	0.523
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	486.514
chemicalCompound:acdMostBpk...	4.176
chemicalCompound:chemblId	CHEMBL516053
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:582533
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	KOPSIDINE A
chemicalCompound:activity	activity:2335869, activity:2335870, activity:2335871, activity:2335872, activity:2336876, activity:2336877, activity:2336878, activity:2336879, activity:2336880, activity:2336881, activity:2336882, activity:2336883, activity:2336884, activity:2336885