104608

Source:http://linkedlifedata.com/resource/chembl/compound/104608

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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/C24H28N6O5S2/c1-4-13(5-2)14-6-8-29(9-7-14)10-15-11-36-22-18(21(32)30(22)19(15)23(33)34)27-20(31)17(28-35-3)16-12-37-24(25)26-16/h6-9,12-13,18,22H,4-5,10-11H2,1-3H3,(H3-,25,26,27,31,33,34)/b28-17-/t18-,22-/m1/s1
chemicalCompound:standardIn...	AKJKFNPRZZWCGD-QUJFDNLYSA-N
chemicalCompound:canonicalS...	CCC(CC)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)\C(=N/OC)\c4csc(N)n4)C3=O)C(=O)[O-])cc1
chemicalCompound:molecularF...	C24 H28 N6 O5 S2
chemicalCompound:moleculeId	104608
chemicalCompound:mwFreebase	544.646
chemicalCompound:alogp	1.137
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	207.46
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.431
chemicalCompound:acdLogP	-0.682
chemicalCompound:acdLogD	-0.132
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	544.646
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL70079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:204608
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:428550, activity:428551, activity:428552, activity:428553, activity:428554, activity:428555, activity:428556, activity:428557, activity:428558, activity:428559, activity:428560, activity:428561, activity:428562, activity:428563, activity:428564, activity:428565, activity:428566, activity:428567, activity:428568, activity:428569