102

Source:http://linkedlifedata.com/resource/chembl/compound/102

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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/C21H23N9O2S/c1-31-17-11-15-16(12-18(17)32-2)25-20(26-19(15)22)29-7-9-30(10-8-29)21(33)24-13-3-5-14(6-4-13)27-28-23/h3-6,11-12H,7-10H2,1-2H3,(H,24,33)(H2,22,25,26)
chemicalCompound:standardIn...	HWUDYZUPBWBIKE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)\C(=N\c4ccc(cc4)N=[N+]=[N-])\S
chemicalCompound:molecularF...	C21 H23 N9 O2 S
chemicalCompound:moleculeId	102
chemicalCompound:mwFreebase	465.531
chemicalCompound:alogp	3.975
chemicalCompound:hba	11
chemicalCompound:hbd	2
chemicalCompound:psa	177.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.662
chemicalCompound:acdLogD	1.134
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	465.531
chemicalCompound:acdMostBpk...	11.565
chemicalCompound:chemblId	CHEMBL6313
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100102
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:332263, activity:332264