9277

Source:http://linkedlifedata.com/resource/chembl/compound/9277

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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:9277_Eserine_OTHER, synonym:9277_Physostigmine_INN
chemicalCompound:standardIn...	InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
chemicalCompound:standardIn...	PIJVFDBKTWXHHD-HIFRSBDPSA-N
chemicalCompound:canonicalS...	CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
chemicalCompound:molecularF...	C15H21N3O2
chemicalCompound:moleculeId	9277
chemicalCompound:mwFreebase	275.346
chemicalCompound:alogp	2.35
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	44.81
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.226
chemicalCompound:acdLogP	1.268
chemicalCompound:acdLogD	0.542
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.346
chemicalCompound:acdMostBpk...	8.315
chemicalCompound:chemblId	CHEMBL94
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:109277
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	PHYSOSTIGMINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:27953
chemicalCompound:activity	activity:98331, activity:98616, activity:98617, activity:98618, activity:117580, activity:117581, activity:117582, activity:117583, activity:117584, activity:208713, activity:226309, activity:226310, activity:234346, activity:234347, activity:234348, activity:350515, activity:350516, activity:350517, activity:350518, activity:350519, activity:361649, activity:361650, activity:361651, activity:361652, activity:361653, activity:370798, activity:370799, activity:370800, activity:426897, activity:426898, activity:426899, activity:426900, activity:426901, activity:426902, activity:426903, activity:426904, activity:426905, activity:426906, activity:426907, activity:437417, activity:437418, activity:437419, activity:454342, activity:454431, activity:454432, activity:470263, activity:470264, activity:486565, activity:486566, activity:496010, activity:496011, activity:496012, activity:560718, activity:593939, activity:638919, activity:638920, activity:658425, activity:681810, activity:681811, activity:681812, activity:681813, activity:681814