167926

Source:http://linkedlifedata.com/resource/chembl/compound/167926

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/C12H16N2O10/c15-7(16)3-1-5(11(21)22)13-9(19)10(20)14-6(12(23)24)2-4-8(17)18/h5-6H,1-4H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)(H,23,24)/t5-,6-/m0/s1
chemicalCompound:standardIn...	LFPXYNQLDHFGSM-WDSKDSINSA-N
chemicalCompound:canonicalS...	OC(=O)CC[C@H](NC(=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C12 H16 N2 O10
chemicalCompound:moleculeId	167926
chemicalCompound:mwFreebase	348.263
chemicalCompound:alogp	-1.937
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	207.39
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.809
chemicalCompound:acdLogP	-1.573
chemicalCompound:acdLogD	-8.305
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	348.263
chemicalCompound:chemblId	CHEMBL432588
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267926
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:420501