179150

Source:http://linkedlifedata.com/resource/chembl/compound/179150

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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/C40H54ClF6N4O14P/c1-2-3-4-5-6-7-8-9-10-11-17-61-66(59,60)65-37-32(27(31(55)33(64-37)34(48)56)51-38(58)49-23-15-16-25(41)24(19-23)40(45,46)47)63-36-28(30(54)29(53)26(20-52)62-36)50-35(57)21-13-12-14-22(18-21)39(42,43)44/h12-16,18-19,26-33,36-37,52-55H,2-11,17,20H2,1H3,(H2,48,56)(H,50,57)(H,59,60)(H2,49,51,58)
chemicalCompound:standardIn...	KIBQNZUPDIJMAD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCOP(=O)(O)OC1OC(C(O)C(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)C1OC3OC(CO)C(O)C(O)C3NC(=O)c4cccc(c4)C(F)(F)F)C(=O)N
chemicalCompound:molecularF...	C40 H54 Cl F6 N4 O14 P
chemicalCompound:moleculeId	179150
chemicalCompound:mwFreebase	995.292
chemicalCompound:alogp	5.435
chemicalCompound:hba	14
chemicalCompound:hbd	9
chemicalCompound:psa	287.5
chemicalCompound:rtb	24
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	4
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.363
chemicalCompound:acdLogP	9.199
chemicalCompound:acdLogD	5.699
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	995.292
chemicalCompound:chemblId	CHEMBL320357
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:279150
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:91605, activity:91606, activity:91607, activity:91608, activity:91609, activity:91610, activity:91611, activity:91612, activity:91613, activity:91614, activity:91615, activity:91616