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674849
Source:
http://linkedlifedata.com/resource/chembl/compound/674849
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Subject
(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:parent
chemicalCompound:789
chemicalCompound:synonym
synonym:674849_CGP-2175C_RESEARCH_CODE
,
synonym:674849_Metoprolol Fumarate_USAN
chemicalCompound:standardIn...
InChI=1S/C15H25NO3.C4H4O4/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...
VHYHYBWPDPBYTJ-WLHGVMLRSA-N
chemicalCompound:canonicalS...
COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...
C19H29NO7
chemicalCompound:moleculeId
674849
chemicalCompound:mwFreebase
267.364
chemicalCompound:alogp
1.757
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
50.72
chemicalCompound:rtb
9
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.891
chemicalCompound:acdLogP
1.632
chemicalCompound:acdLogD
-0.47
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
383.436
chemicalCompound:acdMostBpk...
9.434
chemicalCompound:chemblId
CHEMBL1200898
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:774849
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
Yes
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
METOPROLOL FUMARATE
chemicalCompound:firstAppro...
1989