608335

Source:http://linkedlifedata.com/resource/chembl/compound/608335

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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:377156
chemicalCompound:standardIn...	InChI=1S/C21H22N2O2.HNO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;(H,2,3,4)/t13-,16-,17-,19-,20-,21+;/m0./s1
chemicalCompound:standardIn...	PCGVPMHGSJFFTI-ZEYGOCRCSA-N
chemicalCompound:canonicalS...	O[N+](=O)[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
chemicalCompound:molecularF...	C21H23N3O5
chemicalCompound:moleculeId	608335
chemicalCompound:mwFreebase	334.412
chemicalCompound:alogp	1.145
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.589
chemicalCompound:acdLogD	0.549
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.424
chemicalCompound:acdMostBpk...	8.373
chemicalCompound:chemblId	CHEMBL612118
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:708335
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	STRYCHNINE NITRATE
chemicalCompound:activity	activity:2439780, activity:2439781