675701

Source:http://linkedlifedata.com/resource/chembl/compound/675701

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:synonym	synonym:675701_Lexiscan_TRADE_NAME, synonym:675701_Regadenoson_INN, synonym:675701_Regadenoson_USAN
chemicalCompound:standardIn...	InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)
chemicalCompound:standardIn...	LZPZPHGJDAGEJZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cnn(c1)c2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2
chemicalCompound:molecularF...	C15H18N8O5
chemicalCompound:moleculeId	675701
chemicalCompound:mwFreebase	390.354
chemicalCompound:alogp	-1.925
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	186.45
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.07
chemicalCompound:acdLogP	-1.244
chemicalCompound:acdLogD	-1.244
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	390.354
chemicalCompound:acdMostBpk...	1.324
chemicalCompound:chemblId	CHEMBL1201750
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775701
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	REGADENOSON
chemicalCompound:firstAppro...	2008