19878

Source:http://linkedlifedata.com/resource/chembl/compound/19878

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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/C22H29N3O4S/c1-11-18-17(12(2)26)21(27)25(18)19(22(28)29)20(11)30-15-9-16(24-10-15)14-5-3-13(4-6-14)7-8-23/h3-6,11-12,15-18,24,26H,7-10,23H2,1-2H3,(H,28,29)/t11-,12-,15+,16-,17-,18-/m1/s1
chemicalCompound:standardIn...	FMWVTBDMPSAOBQ-ZOQTURJOSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@H](C3)c4ccc(CCN)cc4
chemicalCompound:molecularF...	C22 H29 N3 O4 S
chemicalCompound:moleculeId	19878
chemicalCompound:mwFreebase	431.548
chemicalCompound:alogp	-2.491
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	141.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	-0.911
chemicalCompound:acdLogD	-4.31
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	431.548
chemicalCompound:acdMostBpk...	9.945
chemicalCompound:chemblId	CHEMBL278723
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119878
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:882959, activity:882960, activity:882961, activity:882962, activity:882963, activity:882964, activity:882965, activity:882966