332602

Source:http://linkedlifedata.com/resource/chembl/compound/332602

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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/C25H22FN3O5S/c26-23-13-17(10-11-27-23)15-28-22-9-8-20(14-21(22)24(30)25(28)31)35(32,33)29-12-4-5-18(29)16-34-19-6-2-1-3-7-19/h1-3,6-11,13-14,18H,4-5,12,15-16H2/t18-/m0/s1
chemicalCompound:standardIn...	YDTJDBMJRVDMKU-SFHVURJKSA-N
chemicalCompound:canonicalS...	Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N4CCC[C@H]4COc5ccccc5)ccn1
chemicalCompound:molecularF...	C25 H22 F N3 O5 S
chemicalCompound:moleculeId	332602
chemicalCompound:mwFreebase	495.523
chemicalCompound:alogp	3.135
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	105.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.88
chemicalCompound:acdLogD	2.88
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	495.523
chemicalCompound:chemblId	CHEMBL373012
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432602
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:1653978, activity:1656578, activity:1656605, activity:1656632, activity:1656659