63661

Source:http://linkedlifedata.com/resource/chembl/compound/63661

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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/C16H22N2O4S2/c1-8-11-10(9(2)19)14(20)18(11)12(15(21)22)13(8)24-16(23)17-6-4-3-5-7-17/h8-11,19H,3-7H2,1-2H3,(H,21,22)/t8-,9-,10-,11-/m1/s1
chemicalCompound:standardIn...	NJQLMZGBFLPYAL-GWOFURMSSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)SC(=S)N3CCCCC3
chemicalCompound:molecularF...	C16 H22 N2 O4 S2
chemicalCompound:moleculeId	63661
chemicalCompound:mwFreebase	370.487
chemicalCompound:alogp	1.989
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	138.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.134
chemicalCompound:acdLogP	-1.528
chemicalCompound:acdLogD	-4.678
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	370.487
chemicalCompound:acdMostBpk...	0.739
chemicalCompound:chemblId	CHEMBL43845
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163661
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:1234596, activity:1234597, activity:1234598, activity:1234599, activity:1234600, activity:1234601, activity:1234602, activity:1234603