207121

Source:http://linkedlifedata.com/resource/chembl/compound/207121

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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/C22H25N9O7S3/c1-22(2,19(36)37)38-29-12(9-5-26-20(25)41-9)15(32)28-13-16(33)31-14(18(34)35)8(6-39-17(13)31)7-40-21-27-10(23)4-11(24)30(21)3/h4-5,13,17H,6-7H2,1-3H3,(H8,23,24,25,26,28,29,32,34,35,36,37)/p+1
chemicalCompound:standardIn...	PYKOXDWLQRZNBE-UHFFFAOYSA-O
chemicalCompound:canonicalS...	C[n+]1c(N)cc(N)nc1SCC2=C(N3C(SC2)C(NC(=O)\C(=N/OC(C)(C)C(=O)O)\c4cnc(N)s4)C3=O)C(=O)O
chemicalCompound:molecularF...	C22 H26 N9 O7 S3
chemicalCompound:moleculeId	207121
chemicalCompound:mwFreebase	624.693
chemicalCompound:alogp	-0.308
chemicalCompound:hba	15
chemicalCompound:hbd	6
chemicalCompound:psa	332.16
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.381
chemicalCompound:acdLogP	-4.503
chemicalCompound:acdLogD	-4.927
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	624.693
chemicalCompound:acdMostBpk...	2.337
chemicalCompound:chemblId	CHEMBL126358
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307121
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:1155132, activity:1155133, activity:1155134, activity:1155135, activity:1155136, activity:1155137, activity:1155138, activity:1155139, activity:1155140, activity:1155141, activity:1155142, activity:1155143, activity:1168565, activity:1168566, activity:1168567, activity:1168568, activity:1168569, activity:1168570, activity:1168571, activity:1168572, activity:1168573, activity:1168574, activity:1168575, activity:1168576