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441571
Source:
http://linkedlifedata.com/resource/chembl/compound/441571
Search
Subject
(
74
)
Predicate
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:synonym
synonym:441571_Aquamephyton_TRADE_NAME
,
synonym:441571_Konakion_TRADE_NAME
,
synonym:441571_Mephyton_TRADE_NAME
,
synonym:441571_Phylloquinone_TRADE_NAME
,
synonym:441571_Phytomenadione_BAN
,
synonym:441571_Phytomenadione_INN
,
synonym:441571_Phytomenadione_TRADE_NAME
,
synonym:441571_Phytonadione_FDA_ALTERNATIVE_NAME
,
synonym:441571_Phytonadione_JAN
,
synonym:441571_Phytonadione_TRADE_NAME
,
synonym:441571_Phytonadione_USAN
,
synonym:441571_Phytonadione_USP
,
synonym:441571_Vitamin K 1_TRADE_NAME
,
synonym:441571_Vitamin K1_TRADE_NAME
chemicalCompound:standardIn...
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
chemicalCompound:standardIn...
MBWXNTAXLNYFJB-NKFFZRIASA-N
chemicalCompound:canonicalS...
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\CC1=C(C)C(=O)c2ccccc2C1=O)\C
chemicalCompound:molecularF...
C31H46O2
chemicalCompound:moleculeId
441571
chemicalCompound:mwFreebase
450.696
chemicalCompound:alogp
10.25
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
34.14
chemicalCompound:rtb
14
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
10.305
chemicalCompound:acdLogD
10.305
chemicalCompound:fullMwt
450.696
chemicalCompound:chemblId
CHEMBL1550
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:541571
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
PHYTONADIONE
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:18067
chemicalCompound:activity
activity:2120196
,
activity:2434228
,
activity:2434279
,
activity:2434330
,
activity:2434444
,
activity:2434468
,
activity:2434519
,
activity:2435581
,
activity:2435632
,
activity:6261126
,
activity:6301838
,
activity:6731499
,
activity:7004184
,
activity:7835299
,
activity:7835300
,
activity:7835301
,
activity:7835302
,
activity:7835303
,
activity:7835304
,
activity:7835305
,
activity:7835306
,
activity:7835307
,
activity:7835308
,
activity:7835309
,
activity:7835310
,
activity:7835311
,
activity:7835312