1307884

Source:http://linkedlifedata.com/resource/chembl/compound/1307884

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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/C12H10N4O5S/c1-5-2-3-6(7(4-5)16(20)21)13-11(19)9(17)8-10(18)15-12(22)14-8/h2-4,8H,1H3,(H,13,19)(H2,14,15,18,22)
chemicalCompound:standardIn...	PXMHQJUCBBESNA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)C(=O)C2NC(=S)NC2=O)c(c1)[N+](=O)[O-]
chemicalCompound:molecularF...	C12H10N4O5S
chemicalCompound:moleculeId	1307884
chemicalCompound:mwFreebase	322.297
chemicalCompound:alogp	1.175
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	165.21
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.695
chemicalCompound:acdLogP	0.866
chemicalCompound:acdLogD	-0.394
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	322.297
chemicalCompound:chemblId	CHEMBL1986593
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1407884
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:8245272, activity:8309922, activity:8366364, activity:8400059, activity:8420256, activity:8506185, activity:8515374, activity:8571712, activity:8596329, activity:8677410, activity:8723351, activity:8767943, activity:8770540, activity:8800315, activity:8898962, activity:8923751, activity:8966721, activity:9042630, activity:9067351, activity:9090660, activity:9092824, activity:9168350, activity:9183826, activity:9228008, activity:9287430, activity:9336445, activity:9355955, activity:9359346, activity:9432738, activity:9446034, activity:9504540, activity:9647750, activity:9687296, activity:9701291, activity:9711722, activity:9791687, activity:9858536, activity:9887524, activity:9921195, activity:9959105, activity:10076510, activity:10101209, activity:10108679, activity:10167922, activity:10212786, activity:10245455, activity:10321887, activity:10364138, activity:10438108, activity:10489601, activity:10506109, activity:10567871, activity:10591002, activity:10617243, activity:10667231, activity:10695825, activity:10715974, activity:10792950, activity:10820348