621277

Source:http://linkedlifedata.com/resource/chembl/compound/621277

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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/C24H26ClNO7/c1-22(7-6-15(29)26-17-13(27)4-3-11(18(17)30)21(31)32)14(28)5-8-24-9-12-16(25)19(20(22)24)33-23(12,2)10-24/h3-5,8,12,16,19-20,27,30H,6-7,9-10H2,1-2H3,(H,26,29)(H,31,32)/t12?,16-,19?,20?,22?,23?,24?/m0/s1
chemicalCompound:standardIn...	LXUOSZDIZYNUEN-QFMFJHIJSA-N
chemicalCompound:canonicalS...	CC12CC34CC1[C@H](Cl)C(O2)C3C(C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)C(=O)C=C4
chemicalCompound:molecularF...	C24H26ClNO7
chemicalCompound:moleculeId	621277
chemicalCompound:mwFreebase	475.919
chemicalCompound:alogp	2.112
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	133.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.136
chemicalCompound:acdLogP	3.184
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	475.919
chemicalCompound:acdMostBpk...	3.657
chemicalCompound:chemblId	CHEMBL1093465
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:721277
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:3247463, activity:3247464, activity:3247465, activity:3247466, activity:3247467, activity:3247468, activity:3247469, activity:3247470, activity:3247471, activity:3247472, activity:3247473, activity:3247474, activity:3247475, activity:3247476, activity:3247477