104118

Source:http://linkedlifedata.com/resource/chembl/compound/104118

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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/C20H20N6O5S2/c1-10-3-5-25(6-4-10)7-11-8-32-18-14(17(28)26(18)15(11)19(29)30)23-16(27)13(24-31-2)12-9-33-20(21)22-12/h3-6,9,14,18H,7-8H2,1-2H3,(H3-,21,22,23,27,29,30)/b24-13-/t14-,18-/m1/s1
chemicalCompound:standardIn...	CKUYYIIBSZNEAB-GIXWELNESA-N
chemicalCompound:canonicalS...	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3ccc(C)cc3)\c4csc(N)n4
chemicalCompound:molecularF...	C20 H20 N6 O5 S2
chemicalCompound:moleculeId	104118
chemicalCompound:mwFreebase	488.54
chemicalCompound:alogp	-0.484
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	207.46
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.431
chemicalCompound:acdLogP	-2.564
chemicalCompound:acdLogD	-2.014
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	488.54
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL63256
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:204118
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:392964, activity:392965, activity:392966, activity:392967, activity:392968, activity:392969, activity:392970, activity:392971, activity:392972, activity:392973, activity:392974, activity:392975, activity:392976, activity:392977, activity:392978, activity:392979, activity:392980, activity:392981, activity:392982, activity:392983, activity:392984, activity:392985, activity:392986, activity:392987, activity:392988, activity:400541, activity:400542, activity:400543, activity:400544, activity:400545, activity:400546, activity:400547, activity:400548, activity:400549, activity:400550, activity:400551, activity:400552, activity:400553, activity:400554, activity:400555, activity:400556, activity:400557, activity:400558, activity:400559, activity:400560, activity:404977, activity:404978, activity:404979, activity:404980, activity:404981, activity:404982, activity:404983, activity:404984, activity:404985, activity:404986, activity:404987, activity:404988, activity:404989, activity:404990, activity:404991, activity:404992, activity:404993, activity:404994, activity:404995, activity:404996, activity:406124