|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:19344_Hykinone_TRADE_NAME,
synonym:19344_Kappaxin_TRADE_NAME,
synonym:19344_Klotogen_TRADE_NAME,
synonym:19344_Menadione_BAN,
synonym:19344_Menadione_FDA_ALTERNATIVE_NAME,
synonym:19344_Menadione_TRADE_NAME,
synonym:19344_Menadione_USAN,
synonym:19344_Menadione_USP,
synonym:19344_Menaphthene_OTHER,
synonym:19344_Menaphthone_OTHER,
synonym:19344_Vitamin K 3_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
|
|
chemicalCompound:standardIn... |
MJVAVZPDRWSRRC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1=CC(=O)c2ccccc2C1=O
|
|
chemicalCompound:molecularF... |
C11H8O2
|
|
chemicalCompound:moleculeId |
19344
|
|
chemicalCompound:mwFreebase |
172.18
|
|
chemicalCompound:alogp |
2.204
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
34.14
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.988
|
|
chemicalCompound:acdLogD |
1.988
|
|
chemicalCompound:fullMwt |
172.18
|
|
chemicalCompound:chemblId |
CHEMBL590
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
MENADIONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:164483,
activity:189153,
activity:189154,
activity:189155,
activity:189156,
activity:189157,
activity:189158,
activity:198725,
activity:198726,
activity:323699,
activity:323700,
activity:323701,
activity:323702,
activity:323703,
activity:323704,
activity:527146,
activity:527147,
activity:527148,
activity:614050,
activity:614051,
activity:614052,
activity:614053,
activity:614054,
activity:657455,
activity:658070,
activity:658071,
activity:701316,
activity:870996,
activity:870997,
activity:870998,
activity:870999,
activity:871000,
activity:871001,
activity:871002,
activity:871003,
activity:871004,
activity:871005,
activity:871006,
activity:871007,
activity:871008,
activity:871009,
activity:871010,
activity:871011,
activity:871012,
activity:871013,
activity:1198651,
activity:1198652,
activity:1198653,
activity:1286927,
activity:1437958,
activity:1458096,
activity:1468186,
activity:1486692,
activity:1486693,
activity:1486694,
activity:1486695
|
