1078546

Source:http://linkedlifedata.com/resource/chembl/compound/1078546

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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/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14+/t11?,15-,19-/m1/s1
chemicalCompound:standardIn...	MGYPWVCKENORQX-JGLUBIDVSA-N
chemicalCompound:canonicalS...	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OC(C)OC(=O)C(C)(C)OC)COC(=O)N)/c3occc3
chemicalCompound:molecularF...	C23H28N4O11S
chemicalCompound:moleculeId	1078546
chemicalCompound:mwFreebase	568.554
chemicalCompound:alogp	0.355
chemicalCompound:hba	12
chemicalCompound:hbd	2
chemicalCompound:psa	223.58
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.297
chemicalCompound:acdLogP	2.53
chemicalCompound:acdLogD	2.478
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	568.554
chemicalCompound:chemblId	CHEMBL1697786
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1178546
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:5319998, activity:5319999, activity:5320000, activity:5320001, activity:5320002, activity:5320003, activity:5320004, activity:5320005, activity:5320006, activity:5320007, activity:5320008, activity:5320009, activity:5320010, activity:5320011, activity:5320012, activity:5320013, activity:5320014, activity:5320015