437621

Source:http://linkedlifedata.com/resource/chembl/compound/437621

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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:437621_Atroject_TRADE_NAME, synonym:437621_Atrophate_TRADE_NAME, synonym:437621_Atropine_BAN, synonym:437621_Atropine_INN, synonym:437621_Isopto Atropine_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1
chemicalCompound:standardIn...	RKUNBYITZUJHSG-UIDSBSESSA-N
chemicalCompound:canonicalS...	CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3
chemicalCompound:molecularF...	C17H23NO3
chemicalCompound:moleculeId	437621
chemicalCompound:mwFreebase	289.369
chemicalCompound:alogp	1.721
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.38
chemicalCompound:acdLogD	-1.09
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	289.369
chemicalCompound:acdMostBpk...	9.981
chemicalCompound:chemblId	CHEMBL195
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:537621
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ATROPINE
chemicalCompound:activity	activity:36804, activity:36805, activity:36806, activity:36807, activity:62617, activity:62618, activity:67166, activity:95039, activity:95040, activity:97985, activity:97986, activity:114761, activity:114762, activity:114763, activity:114764, activity:114765, activity:114766, activity:148048, activity:148049, activity:148050, activity:148051, activity:148052, activity:148053, activity:170706, activity:186643, activity:204256, activity:215101, activity:215102, activity:230279, activity:230280, activity:230281, activity:239916, activity:239917, activity:239918, activity:245902, activity:245903, activity:245904, activity:284430, activity:284431, activity:284432, activity:285986, activity:327310, activity:327311, activity:327312, activity:327313, activity:327314, activity:327315, activity:335181, activity:335182, activity:335183, activity:335184, activity:369569, activity:379067, activity:379068, activity:379069, activity:379070, activity:379071, activity:379072, activity:396856, activity:422731, activity:422732