422673

Source:http://linkedlifedata.com/resource/chembl/compound/422673

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:681336
chemicalCompound:standardIn...	InChI=1S/C30H37FN2O7S.Na/c1-20(2)28-30(41(38,39)32-14-16-40-17-15-32)27(21-6-4-3-5-7-21)29(22-8-10-23(31)11-9-22)33(28)13-12-24(34)18-25(35)19-26(36)37;/h3-11,20,24-25,34-35H,12-19H2,1-2H3,(H,36,37);/q;+1/p-1/t24-,25-;/m1./s1
chemicalCompound:standardIn...	KBEKUNMCQFEIGR-JIMLSGQQSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)c1c(c(c2ccccc2)c(c3ccc(F)cc3)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])S(=O)(=O)N4CCOCC4
chemicalCompound:molecularF...	C30 H36 F N2 O7 S . Na
chemicalCompound:moleculeId	422673
chemicalCompound:mwFreebase	588.687
chemicalCompound:alogp	3.576
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	137.67
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.284
chemicalCompound:acdLogP	2.116
chemicalCompound:acdLogD	-0.989
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	610.669
chemicalCompound:chemblId	CHEMBL401949
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522673
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:2075432, activity:2075453, activity:2075474, activity:2075495, activity:2075563, activity:2075566