19564

Source:http://linkedlifedata.com/resource/chembl/compound/19564

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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/C20H27N3O5S/c1-9-16-15(10(2)24)19(25)23(16)17(20(26)27)18(9)29-12-6-13(22-8-12)14-5-4-11(28-14)7-21-3/h4-5,9-10,12-13,15-16,21-22,24H,6-8H2,1-3H3,(H,26,27)/t9-,10-,12+,13-,15-,16-/m1/s1
chemicalCompound:standardIn...	YUWIBMJORXNIQK-NDKQOTDYSA-N
chemicalCompound:canonicalS...	CNCc1oc(cc1)[C@H]2C[C@@H](CN2)SC3=C(N4[C@H]([C@H]3C)[C@@H]([C@@H](C)O)C4=O)C(=O)O
chemicalCompound:molecularF...	C20 H27 N3 O5 S
chemicalCompound:moleculeId	19564
chemicalCompound:mwFreebase	421.51
chemicalCompound:alogp	-3.014
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	140.34
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	-1.328
chemicalCompound:acdLogD	-4.591
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	421.51
chemicalCompound:acdMostBpk...	9.058
chemicalCompound:chemblId	CHEMBL17752
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119564
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:884187, activity:884188, activity:884189, activity:884190, activity:884191, activity:884192, activity:884193