105480

Source:http://linkedlifedata.com/resource/chembl/compound/105480

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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/C18H18N6O5S3/c1-8-4-30-7-23(8)3-9-5-31-16-12(15(26)24(16)13(9)17(27)28)21-14(25)11(22-29-2)10-6-32-18(19)20-10/h4,6-7,12,16H,3,5H2,1-2H3,(H3-,19,20,21,25,27,28)/b22-11-/t12-,16-/m1/s1
chemicalCompound:standardIn...	BDKMZMJLHWJYQG-WGHMCSAXSA-N
chemicalCompound:canonicalS...	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3cscc3C)\c4csc(N)n4
chemicalCompound:molecularF...	C18 H18 N6 O5 S3
chemicalCompound:moleculeId	105480
chemicalCompound:mwFreebase	494.568
chemicalCompound:alogp	-0.631
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	235.7
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.324
chemicalCompound:acdLogP	-3.208
chemicalCompound:acdLogD	-2.66
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	494.568
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL307749
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:205480
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:394120, activity:394121, activity:394122, activity:394123, activity:394124, activity:394125, activity:394126, activity:394127, activity:394128, activity:394129, activity:394130, activity:394131, activity:394132, activity:394133