188775

Source:http://linkedlifedata.com/resource/chembl/compound/188775

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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/C27H38Cl2O4/c1-5-6-7-8-11-33-16-24-14-25-20(9-10-22(25,4)27(25,28)29)23(15-30)13-18(24)12-19(17(2)3)26(23,24)21(31)32/h12,15,17-18,20H,5-11,13-14,16H2,1-4H3,(H,31,32)/t18?,20-,22-,23?,24?,25+,26-/m0/s1
chemicalCompound:standardIn...	IOLMUMVDSOPFIW-CYASSZDQSA-N
chemicalCompound:canonicalS...	CCCCCCOCC12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)C5(CC1C=C(C(C)C)[C@@]25C(=O)O)C=O
chemicalCompound:molecularF...	C27 H38 Cl2 O4
chemicalCompound:moleculeId	188775
chemicalCompound:mwFreebase	497.494
chemicalCompound:alogp	5.253
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.492
chemicalCompound:acdLogP	5.234
chemicalCompound:acdLogD	1.713
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	497.494
chemicalCompound:chemblId	CHEMBL114032
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288775
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:1221035, activity:1221036, activity:1221037