210552

Source:http://linkedlifedata.com/resource/chembl/compound/210552

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:210552_Leupeptin_OTHER
chemicalCompound:standardIn...	InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
chemicalCompound:standardIn...	OLNJKAXRBXUBTB-JYJNAYRXSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
chemicalCompound:molecularF...	C20 H38 N6 O5
chemicalCompound:moleculeId	210552
chemicalCompound:mwFreebase	442.553
chemicalCompound:alogp	0.221
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	189
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.277
chemicalCompound:acdLogP	0.105
chemicalCompound:acdLogD	-2.394
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	442.553
chemicalCompound:acdMostBpk...	13.53
chemicalCompound:chemblId	CHEMBL129157
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:310552
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LEUPEPTIN
chemicalCompound:activity	activity:199881, activity:226662, activity:226663, activity:313973, activity:313974, activity:313975, activity:313976, activity:317253, activity:317254, activity:317255, activity:317256, activity:1146313, activity:1146314, activity:1146315, activity:1146316, activity:1146317, activity:1283432, activity:1283433, activity:1283434, activity:1283435, activity:1283436, activity:1283437, activity:1283438, activity:1283439, activity:1283440, activity:1283441, activity:1283442, activity:1510562, activity:1510563, activity:1510564, activity:1657355, activity:1657387, activity:1688174, activity:1813741, activity:1928790, activity:2141440, activity:2187959, activity:2187960, activity:2194179, activity:2292225, activity:2305434, activity:2514581, activity:2554027, activity:3402440, activity:3402441, activity:3402442, activity:5244270, activity:5294606, activity:5294613, activity:5294620, activity:5294621, activity:5294622, activity:5294623, activity:5294624, activity:5294625, activity:5294626, activity:5294627, activity:5294628, activity:5294629, activity:5294630, activity:5294631, activity:5294632, activity:5294633, activity:5294634