84633

Source:http://linkedlifedata.com/resource/chembl/compound/84633

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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:84633_Tryptophan_INN
chemicalCompound:standardIn...	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
chemicalCompound:standardIn...	QIVBCDIJIAJPQS-VIFPVBQESA-N
chemicalCompound:canonicalS...	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
chemicalCompound:molecularF...	C11H12N2O2
chemicalCompound:moleculeId	84633
chemicalCompound:mwFreebase	204.225
chemicalCompound:alogp	-1.312
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	79.11
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.301
chemicalCompound:acdLogP	0.704
chemicalCompound:acdLogD	-1.797
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	204.225
chemicalCompound:acdMostBpk...	9.71
chemicalCompound:chemblId	CHEMBL54976
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184633
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	TRYPTOPHAN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16828
chemicalCompound:activity	activity:64965, activity:95742, activity:229113, activity:229114, activity:307577, activity:719267, activity:719268, activity:719269, activity:1046742, activity:1046743, activity:1046744, activity:1046745, activity:1046746, activity:1046747, activity:1046748, activity:1759487, activity:1759488, activity:1759508, activity:1902644, activity:1902661, activity:1902678, activity:1902695, activity:2017303, activity:2017319, activity:2032247, activity:2032263, activity:2032279, activity:2143085, activity:2143102, activity:2143119, activity:2143136, activity:2271836, activity:2271837, activity:2271838, activity:2329765, activity:2357234, activity:2403730, activity:2403734, activity:2403755, activity:2403756, activity:2403769, activity:2403771, activity:2484655, activity:2484656, activity:2484657, activity:2484658, activity:2484659, activity:2484660, activity:2484661, activity:2484662, activity:2484663, activity:2484664, activity:2484665, activity:2484666, activity:2484667, activity:2508821, activity:2566112, activity:2566145, activity:2566146, activity:2566147, activity:2583748, activity:2593046, activity:2593063