207137

Source:http://linkedlifedata.com/resource/chembl/compound/207137

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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/C21H23N9O7S3/c1-21(2,18(35)36)37-29-11(8-4-25-19(24)40-8)14(31)28-12-15(32)30-13(17(33)34)7(5-38-16(12)30)6-39-20-26-9(22)3-10(23)27-20/h3-4,12,16H,5-6H2,1-2H3,(H2,24,25)(H,28,31)(H,33,34)(H,35,36)(H4,22,23,26,27)/b29-11-
chemicalCompound:standardIn...	RKXKXFMQAKQXFL-KYMQWJLESA-N
chemicalCompound:canonicalS...	CC(C)(O\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(N)cc(N)n3)\c4cnc(N)s4)C(=O)O
chemicalCompound:molecularF...	C21 H23 N9 O7 S3
chemicalCompound:moleculeId	207137
chemicalCompound:mwFreebase	609.658
chemicalCompound:alogp	-0.091
chemicalCompound:hba	16
chemicalCompound:hbd	6
chemicalCompound:psa	341.17
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.378
chemicalCompound:acdLogP	-0.52
chemicalCompound:acdLogD	-5.268
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	609.658
chemicalCompound:acdMostBpk...	5.228
chemicalCompound:chemblId	CHEMBL125245
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307137
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:1150117, activity:1150118, activity:1150119, activity:1150120, activity:1150121, activity:1150122, activity:1150123, activity:1150124, activity:1150125, activity:1150126, activity:1150127, activity:1150128