322362

Source:http://linkedlifedata.com/resource/chembl/compound/322362

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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/C51H55NO17/c1-27-33(66-47(62)40(58)39(30-16-10-7-11-17-30)52-45(60)31-18-12-8-13-19-31)25-51(63)44(68-46(61)32-20-14-9-15-21-32)42-49(6,43(59)41(65-28(2)53)38(27)48(51,4)5)34(67-37(57)23-22-36(55)56)24-35-50(42,26-64-35)69-29(3)54/h7-21,33-35,39-42,44,58,63H,22-26H2,1-6H3,(H,52,60)(H,55,56)/t33-,34-,35+,39-,40+,41+,42?,44-,49+,50-,51+/m0/s1
chemicalCompound:standardIn...	VKWHFTYOXABIGQ-MCIBQFBWSA-N
chemicalCompound:canonicalS...	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)CCC(=O)O
chemicalCompound:molecularF...	C51 H55 N O17
chemicalCompound:moleculeId	322362
chemicalCompound:mwFreebase	953.979
chemicalCompound:alogp	3.279
chemicalCompound:hba	17
chemicalCompound:hbd	4
chemicalCompound:psa	264.65
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.352
chemicalCompound:acdLogP	5.204
chemicalCompound:acdLogD	2.233
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	953.979
chemicalCompound:chemblId	CHEMBL218618
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:422362
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:1510801, activity:1510802, activity:1510803, activity:1510804, activity:1510805, activity:1510806