19615

Source:http://linkedlifedata.com/resource/chembl/compound/19615

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H30N4O5S/c1-10-19-18(11(2)28)22(30)27(19)20(23(31)32)21(10)33-14-7-16(26-9-14)13-5-3-12(4-6-13)15(24)8-17(25)29/h3-6,10-11,14-16,18-19,26,28H,7-9,24H2,1-2H3,(H2,25,29)(H,31,32)/t10-,11-,14+,15-,16-,18-,19-/m1/s1
chemicalCompound:standardIn...	DMOLXJPZOKHXIH-BQLQCADKSA-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(cc4)[C@H](N)CC(=O)N
chemicalCompound:molecularF...	C23 H30 N4 O5 S
chemicalCompound:moleculeId	19615
chemicalCompound:mwFreebase	474.573
chemicalCompound:alogp	-3.681
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	184.28
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	-1.353
chemicalCompound:acdLogD	-4.197
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	474.573
chemicalCompound:acdMostBpk...	9.075
chemicalCompound:chemblId	CHEMBL17558
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119615
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:893792, activity:893793, activity:893794, activity:893795, activity:893796, activity:893797, activity:893798, activity:893799