398303

Source:http://linkedlifedata.com/resource/chembl/compound/398303

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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/C24H40N2O3S/c1-4-5-6-7-8-9-10-11-12-13-16-25-23(27)20-18-30-24(26-20)19-14-15-21(28-2)22(17-19)29-3/h14-15,17,20,24,26H,4-13,16,18H2,1-3H3,(H,25,27)/t20-,24?/m0/s1
chemicalCompound:standardIn...	PTULDGLHWZOHCF-QHELBMECSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCNC(=O)[C@@H]1CSC(N1)c2ccc(OC)c(OC)c2
chemicalCompound:molecularF...	C24 H40 N2 O3 S
chemicalCompound:moleculeId	398303
chemicalCompound:mwFreebase	436.651
chemicalCompound:alogp	6.14
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	84.89
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	7.743
chemicalCompound:acdLogD	7.73
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.651
chemicalCompound:acdMostBpk...	6.16
chemicalCompound:chemblId	CHEMBL391626
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:498303
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:1970566, activity:1970594, activity:1970602