1288313

Source:http://linkedlifedata.com/resource/chembl/compound/1288313

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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/C42H64O14/c1-18(2)23-14-26(45)42(9,56-23)35-22(44)15-39(6)25-12-10-20-21(41(25,8)27(46)16-40(35,39)7)11-13-28(38(20,4)5)54-37-34(32(50)30(48)24(17-43)53-37)55-36-33(51)31(49)29(47)19(3)52-36/h10,14,18-19,21-22,24-25,28-37,43-44,47-51H,11-13,15-17H2,1-9H3
chemicalCompound:standardIn...	YRQJYHITIWJZQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C1=CC(=O)C(C)(O1)C2C(O)CC3(C)C4CC=C5C(CCC(OC6OC(CO)C(O)C(O)C6OC7OC(C)C(O)C(O)C7O)C5(C)C)C4(C)C(=O)CC23C
chemicalCompound:molecularF...	C42H64O14
chemicalCompound:moleculeId	1288313
chemicalCompound:mwFreebase	792.949
chemicalCompound:alogp	1.209
chemicalCompound:hba	14
chemicalCompound:hbd	7
chemicalCompound:psa	221.89
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.849
chemicalCompound:acdLogP	1.872
chemicalCompound:acdLogD	1.872
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	792.949
chemicalCompound:chemblId	CHEMBL1967022
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1388313
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:8265872, activity:8271835, activity:8321566, activity:8336772, activity:8371775, activity:8422337, activity:8495438, activity:8526723, activity:8542228, activity:8618798, activity:8675147, activity:8699491, activity:8790369, activity:8793006, activity:8827337, activity:8866179, activity:8874870, activity:8925746, activity:8989059, activity:9012179, activity:9022316, activity:9206464, activity:9239278, activity:9250105, activity:9307860, activity:9324522, activity:9388538, activity:9460990, activity:9530239, activity:9723331, activity:9733992, activity:9813158, activity:9843499, activity:9884943, activity:9915034, activity:9947614, activity:9983320, activity:10042103, activity:10102476, activity:10123731, activity:10166189, activity:10205830, activity:10234944, activity:10278470, activity:10289640, activity:10390324, activity:10410961, activity:10463834, activity:10515912, activity:10544384, activity:10624147, activity:10638965, activity:10722276, activity:10738128, activity:10745256