113491

Source:http://linkedlifedata.com/resource/chembl/compound/113491

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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/C24H28Cl2FN3O7/c1-15(31)28-13-18-14-30(23(34)35-18)17-3-4-20(19(27)9-17)29-7-5-16(6-8-29)10-24(2,36-21(32)11-25)37-22(33)12-26/h3-4,9-10,18H,5-8,11-14H2,1-2H3,(H,28,31)/t18-/m0/s1
chemicalCompound:standardIn...	JZLYBYROIFJFEV-SFHVURJKSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCC(=CC(C)(OC(=O)CCl)OC(=O)CCl)CC3)c(F)c2
chemicalCompound:molecularF...	C24 H28 Cl2 F N3 O7
chemicalCompound:moleculeId	113491
chemicalCompound:mwFreebase	560.399
chemicalCompound:alogp	2.914
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	114.47
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.365
chemicalCompound:acdLogD	2.211
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	560.399
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL302309
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213491
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:213111, activity:213112, activity:213113, activity:213114, activity:213115, activity:213116, activity:213117, activity:213118, activity:213119, activity:213120, activity:213121