207318

Source:http://linkedlifedata.com/resource/chembl/compound/207318

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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/C21H21N7O9S3/c1-21(2,18(35)36)37-27-11(8-4-23-19(22)40-8)14(31)26-12-15(32)28-13(17(33)34)7(5-38-16(12)28)6-39-20-24-9(29)3-10(30)25-20/h3-4,12,16H,5-6H2,1-2H3,(H2,22,23)(H,26,31)(H,33,34)(H,35,36)(H2,24,25,29,30)/b27-11-
chemicalCompound:standardIn...	YVDNRIALSFMZGJ-BCHBDCPOSA-N
chemicalCompound:canonicalS...	CC(C)(O\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(O)cc(O)n3)\c4cnc(N)s4)C(=O)O
chemicalCompound:molecularF...	C21 H21 N7 O9 S3
chemicalCompound:moleculeId	207318
chemicalCompound:mwFreebase	611.628
chemicalCompound:alogp	0.918
chemicalCompound:hba	16
chemicalCompound:hbd	6
chemicalCompound:psa	329.59
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.073
chemicalCompound:acdLogP	-1.768
chemicalCompound:acdLogD	-7.301
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	611.628
chemicalCompound:acdMostBpk...	8.742
chemicalCompound:chemblId	CHEMBL127381
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307318
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:1147650, activity:1147651, activity:1147652, activity:1147653, activity:1147654, activity:1147655, activity:1147656, activity:1147657, activity:1147658, activity:1147659, activity:1147660, activity:1147661