229295

Source:http://linkedlifedata.com/resource/chembl/compound/229295

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:32408
chemicalCompound:synonym	synonym:229295_Dizocilpine maleate_OTHER
chemicalCompound:standardIn...	InChI=1S/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,16+;/m1./s1
chemicalCompound:standardIn...	QLTXKCWMEZIHBJ-PJGJYSAQSA-N
chemicalCompound:canonicalS...	C[C@]12N[C@H](Cc3ccccc13)c4ccccc24.OC(=O)\C=C/C(=O)O
chemicalCompound:molecularF...	C16 H15 N . C4 H4 O4
chemicalCompound:moleculeId	229295
chemicalCompound:mwFreebase	221.297
chemicalCompound:alogp	3.041
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.004
chemicalCompound:acdLogD	2.341
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.369
chemicalCompound:acdMostBpk...	7.958
chemicalCompound:chemblId	CHEMBL344151
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329295
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:823109, activity:823110, activity:823111, activity:823112, activity:1769978, activity:2152355, activity:2152357, activity:2193253, activity:2193263, activity:2193273, activity:2551682, activity:2554079, activity:2554097, activity:3278903, activity:3278925, activity:3278947, activity:3278969, activity:3473123, activity:3473124, activity:3490184, activity:3490185, activity:3490186, activity:3635018, activity:3974251, activity:4279534, activity:4536304, activity:5743314, activity:6832895, activity:6877742, activity:6947956, activity:7055998, activity:7437913, activity:7446135, activity:7477185