1924

Source:http://linkedlifedata.com/resource/chembl/compound/1924

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/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
chemicalCompound:standardIn...	PRQROPMIIGLWRP-BZSNNMDCSA-N
chemicalCompound:canonicalS...	CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
chemicalCompound:molecularF...	C21 H31 N3 O5 S
chemicalCompound:moleculeId	1924
chemicalCompound:mwFreebase	437.553
chemicalCompound:alogp	1.463
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	149.9
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.503
chemicalCompound:acdLogP	-0.556
chemicalCompound:acdLogD	-4.188
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	437.553
chemicalCompound:chemblId	CHEMBL267179
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101924
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:53490
chemicalCompound:activity	activity:1223758, activity:1223759, activity:1899561, activity:2687900, activity:2687901, activity:2687902, activity:4323587, activity:4641925, activity:5615436, activity:6561528, activity:6642977, activity:6786303