213

Source:http://linkedlifedata.com/resource/chembl/compound/213

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:213_Ro-31-8220_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
chemicalCompound:standardIn...	DSXXEELGXBCYNQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15
chemicalCompound:molecularF...	C25H23N5O2S
chemicalCompound:moleculeId	213
chemicalCompound:mwFreebase	457.547
chemicalCompound:alogp	3.866
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	131.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.904
chemicalCompound:acdLogP	6.098
chemicalCompound:acdLogD	4.772
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	457.547
chemicalCompound:acdMostBpk...	8.671
chemicalCompound:chemblId	CHEMBL6291
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100213
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BISINDOLYLMALEIMIDE IX
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:38912
chemicalCompound:activity	activity:1019166, activity:1019167, activity:1019168, activity:1019169, activity:1019170, activity:1019171, activity:1019172, activity:1025516, activity:1025517, activity:1157474, activity:1655395, activity:1655396, activity:1657788, activity:1657789, activity:1795309, activity:1795324, activity:1795344, activity:1795345, activity:1795346, activity:1795347, activity:1795354, activity:1795355, activity:1797204, activity:1801057, activity:2134141, activity:2134142, activity:2134143, activity:2134144, activity:2134400, activity:2643853, activity:2643861, activity:2891732, activity:2891814, activity:2891885, activity:2891956, activity:2892017, activity:2892874, activity:2892945, activity:2893016, activity:2893087, activity:2893158, activity:2893731, activity:2893802, activity:2893873, activity:2893944, activity:2894015, activity:2894512, activity:2894583, activity:2894654, activity:2894698, activity:2895588, activity:2895659, activity:2896266, activity:2896337, activity:2896408, activity:2897370, activity:2898293, activity:2898364, activity:2898438, activity:2898512, activity:2898583, activity:2899504, activity:2899575