507884

Source:http://linkedlifedata.com/resource/chembl/compound/507884

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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:507884_ABI-0043_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C46H56N4O12/c1-21-11-10-12-22(2)45(58)48-36-41(56)32-31(35-43(36)61-30-20-27(19-28(51)34(30)47-35)50-16-14-49(8)15-17-50)33-42(26(6)40(32)55)62-46(7,44(33)57)60-18-13-29(59-9)23(3)38(53)25(5)39(54)24(4)37(21)52/h10-13,18-21,23-25,29,37-39,51-55H,14-17H2,1-9H3,(H,48,58)/b11-10+,18-13+,22-12-/t21-,23+,24+,25-,29-,37-,38+,39+,46-/m0/s1
chemicalCompound:standardIn...	GCGXPIASVMELRF-PMXQCPMZSA-N
chemicalCompound:canonicalS...	CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5Oc6cc(cc(O)c6N=C5c4c3C2=O)N7CCN(C)CC7)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)\C
chemicalCompound:molecularF...	C46H56N4O12
chemicalCompound:moleculeId	507884
chemicalCompound:mwFreebase	856.956
chemicalCompound:alogp	3.549
chemicalCompound:hba	15
chemicalCompound:hbd	6
chemicalCompound:psa	220.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.287
chemicalCompound:acdLogP	2.299
chemicalCompound:acdLogD	-0.933
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	856.956
chemicalCompound:acdMostBpk...	7.517
chemicalCompound:chemblId	CHEMBL506509
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:607884
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:2351584, activity:2351591, activity:2351593, activity:2351595, activity:2351597, activity:2351600, activity:2351607, activity:2351608, activity:2351609, activity:2351610, activity:2351611, activity:2351612, activity:2351617, activity:2351618, activity:2351620, activity:2351622, activity:3476736, activity:3476743, activity:3476750, activity:3476756, activity:3476757