1321405

Source:http://linkedlifedata.com/resource/chembl/compound/1321405

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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/C10H14N4OS/c1-16-7-5-12-10-8(7)9(13-6-14-10)11-3-2-4-15/h5-6,15H,2-4H2,1H3,(H2,11,12,13,14)
chemicalCompound:standardIn...	MMMPFWNSQKXKDX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CSc1c[nH]c2ncnc(NCCCO)c12
chemicalCompound:molecularF...	C10H14N4OS
chemicalCompound:moleculeId	1321405
chemicalCompound:mwFreebase	238.309
chemicalCompound:alogp	0.956
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	99.13
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.429
chemicalCompound:acdLogP	-0.875
chemicalCompound:acdLogD	-0.909
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	238.309
chemicalCompound:acdMostBpk...	6.119
chemicalCompound:chemblId	CHEMBL2000114
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1421405
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:9507441, activity:9519358, activity:9519958, activity:9520182, activity:9520451, activity:9520672, activity:9523703, activity:9524038, activity:9525034, activity:9532548, activity:9532771, activity:9532883, activity:9533248, activity:9535944, activity:9536202, activity:9536463, activity:9539841, activity:9544752, activity:9545004, activity:9545338, activity:9549294, activity:9552119, activity:9552484, activity:9552696, activity:9557247, activity:9557636, activity:9557778, activity:9561007, activity:9561367, activity:9565681, activity:9568748, activity:9570148, activity:9570265, activity:9572121, activity:9573413, activity:9574748, activity:9574852, activity:9575120, activity:9575476, activity:9576131, activity:9576482, activity:9577596, activity:9578147, activity:9578337, activity:9579573, activity:9581636, activity:9582672, activity:9583073, activity:9583619, activity:9584107, activity:9584492, activity:9584864, activity:9586611, activity:9587467, activity:9589069, activity:9589209, activity:9589961, activity:9591967, activity:9592266, activity:9593369, activity:9593464, activity:9594399, activity:9594722, activity:9595186, activity:9595984, activity:9596304