|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:1063_8-MOP_TRADE_NAME,
synonym:1063_8-Methoxypsoralen_OTHER,
synonym:1063_Methoxsalen_BAN,
synonym:1063_Methoxsalen_FDA_ALTERNATIVE_NAME,
synonym:1063_Methoxsalen_JAN,
synonym:1063_Methoxsalen_TRADE_NAME,
synonym:1063_Methoxsalen_USAN,
synonym:1063_Methoxsalen_USP,
synonym:1063_Oxsoralen-ultra_TRADE_NAME,
synonym:1063_Oxsoralen_TRADE_NAME,
synonym:1063_Uvadex_TRADE_NAME,
synonym:1063_Xanthotoxin_OTHER
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
|
|
chemicalCompound:standardIn... |
QXKHYNVANLEOEG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1c2OC(=O)C=Cc2cc3ccoc13
|
|
chemicalCompound:molecularF... |
C12H8O4
|
|
chemicalCompound:moleculeId |
1063
|
|
chemicalCompound:mwFreebase |
216.19
|
|
chemicalCompound:alogp |
2.187
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
48.67
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.523
|
|
chemicalCompound:acdLogD |
1.523
|
|
chemicalCompound:fullMwt |
216.19
|
|
chemicalCompound:chemblId |
CHEMBL416
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
METHOXSALEN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:95247,
activity:95248,
activity:95249,
activity:102569,
activity:102570,
activity:102571,
activity:102572,
activity:102573,
activity:102574,
activity:102575,
activity:163027,
activity:163028,
activity:163029,
activity:184756,
activity:184757,
activity:184758,
activity:184759,
activity:184760,
activity:302586,
activity:302587,
activity:302588,
activity:302589,
activity:302590,
activity:302591,
activity:302592,
activity:302593,
activity:326780,
activity:326781,
activity:563276,
activity:563277,
activity:563278,
activity:563279,
activity:668014,
activity:668015,
activity:668016,
activity:668017,
activity:668018,
activity:668019,
activity:704530,
activity:704531,
activity:704532,
activity:704533,
activity:704534,
activity:704535,
activity:704536,
activity:801638,
activity:801639,
activity:801640,
activity:801641,
activity:801642,
activity:801643,
activity:801644,
activity:801645,
activity:991994,
activity:991995
|
