1279

Source:http://linkedlifedata.com/resource/chembl/compound/1279

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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:1279_Atenolol_BAN, synonym:1279_Atenolol_FDA_ALTERNATIVE_NAME, synonym:1279_Atenolol_INN, synonym:1279_Atenolol_JAN, synonym:1279_Atenolol_TRADE_NAME, synonym:1279_Atenolol_USAN, synonym:1279_Atenolol_USP, synonym:1279_Esatenolol_OTHER, synonym:1279_ICI-66082_RESEARCH_CODE, synonym:1279_Ibinolo_TRADE_NAME, synonym:1279_Tenormin_TRADE_NAME, synonym:1279_Unibloc_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
chemicalCompound:standardIn...	METKIMKYRPQLGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)COc1ccc(CC(=O)N)cc1
chemicalCompound:molecularF...	C14H22N2O3
chemicalCompound:moleculeId	1279
chemicalCompound:mwFreebase	266.336
chemicalCompound:alogp	0.669
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	84.58
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.881
chemicalCompound:acdLogP	0.335
chemicalCompound:acdLogD	-1.756
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	266.336
chemicalCompound:acdMostBpk...	9.43
chemicalCompound:chemblId	CHEMBL24
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101279
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ATENOLOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2904
chemicalCompound:activity	activity:39730, activity:102729, activity:102730, activity:102731, activity:102732, activity:130178, activity:130179, activity:130180, activity:130181, activity:130182, activity:130183, activity:130184, activity:130185, activity:142738, activity:142739, activity:142740, activity:142741, activity:142742, activity:162911, activity:162912, activity:162913, activity:251351, activity:251352, activity:328161, activity:461153, activity:461154, activity:461155, activity:503562, activity:503563, activity:503564, activity:539539, activity:539540, activity:539541, activity:570199, activity:570200, activity:570201, activity:651421, activity:691276, activity:691277, activity:691278, activity:774938, activity:774939, activity:774940, activity:774941, activity:851436, activity:851437, activity:851438, activity:857539, activity:872362, activity:872363, activity:872364, activity:872365