105032

Source:http://linkedlifedata.com/resource/chembl/compound/105032

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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/C22H24N6O7S3/c1-10-14(4-5-35-11(2)29)38-9-27(10)6-12-7-36-20-16(19(31)28(20)17(12)21(32)33)25-18(30)15(26-34-3)13-8-37-22(23)24-13/h8-9,16,20H,4-7H2,1-3H3,(H3-,23,24,25,30,32,33)/b26-15-/t16-,20-/m1/s1
chemicalCompound:standardIn...	BKPPFQGVQMXEGT-WHRDSVKCSA-N
chemicalCompound:canonicalS...	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3csc(CCOC(=O)C)c3C)\c4csc(N)n4
chemicalCompound:molecularF...	C22 H24 N6 O7 S3
chemicalCompound:moleculeId	105032
chemicalCompound:mwFreebase	580.657
chemicalCompound:alogp	-0.53
chemicalCompound:hba	11
chemicalCompound:hbd	2
chemicalCompound:psa	262
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.322
chemicalCompound:acdLogP	-3.194
chemicalCompound:acdLogD	-2.647
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	580.657
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL66890
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:205032
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:394134, activity:394135, activity:394136, activity:394137, activity:394138, activity:394139, activity:394140, activity:394141, activity:394142, activity:394143, activity:394144, activity:394145, activity:394146, activity:394147