Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
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...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
Yes
chemicalCompound:parenteral
Yes
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
PHYTONADIONE
chemicalCompound:chebiParen...
chemicalCompound:activity