901833

Source:http://linkedlifedata.com/resource/chembl/compound/901833

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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/C14H18N2O3S2/c17-13(11-4-6-12(7-5-11)16(18)19)10-21-14(20)15-8-2-1-3-9-15/h4-7,13,17H,1-3,8-10H2
chemicalCompound:standardIn...	KQZTZKHJOXALHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(CSC(=S)N1CCCCC1)c2ccc(cc2)[N+](=O)[O-]
chemicalCompound:molecularF...	C14H18N2O3S2
chemicalCompound:moleculeId	901833
chemicalCompound:mwFreebase	326.434
chemicalCompound:alogp	4.089
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	126.67
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.645
chemicalCompound:acdLogP	2.393
chemicalCompound:acdLogD	2.393
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	326.434
chemicalCompound:acdMostBpk...	0.88
chemicalCompound:chemblId	CHEMBL1477949
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1001833
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:3823652, activity:4281599, activity:4692143, activity:4765738, activity:4962413, activity:5012815, activity:5032904, activity:5554121, activity:5897869, activity:6560762, activity:6753294, activity:7170514, activity:7400093, activity:7523697