17868

Source:http://linkedlifedata.com/resource/chembl/compound/17868

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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/C24H30Cl2O4/c1-13-9-18-17-6-5-15-10-16(28)7-8-23(15,4)24(17,26)20(25)11-22(18,3)21(13)19(29)12-30-14(2)27/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3/t13-,17?,18?,20?,21?,22?,23?,24+/m1/s1
chemicalCompound:standardIn...	NLSUODIKTXXGJU-UIIQVCMJSA-N
chemicalCompound:canonicalS...	C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)C(Cl)CC2(C)C1C(=O)COC(=O)C
chemicalCompound:molecularF...	C24 H30 Cl2 O4
chemicalCompound:moleculeId	17868
chemicalCompound:mwFreebase	453.399
chemicalCompound:alogp	4.224
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	60.44
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.115
chemicalCompound:acdLogD	4.115
chemicalCompound:fullMwt	453.399
chemicalCompound:chemblId	CHEMBL428680
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117868
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:457992, activity:457993, activity:457994, activity:457995, activity:457996, activity:457997, activity:457998, activity:457999, activity:458000, activity:458001