|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
|
|
chemicalCompound:standardIn... |
INVGWHRKADIJHF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
|
|
chemicalCompound:molecularF... |
C20H14NO4
|
|
chemicalCompound:moleculeId |
11164
|
|
chemicalCompound:mwFreebase |
332.329
|
|
chemicalCompound:alogp |
3.987
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
40.79
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.653
|
|
chemicalCompound:acdLogD |
-0.653
|
|
chemicalCompound:fullMwt |
332.329
|
|
chemicalCompound:chemblId |
CHEMBL417799
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
SANGUINARINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1254805,
activity:1254806,
activity:1254807,
activity:1254808,
activity:1254809,
activity:1254810,
activity:1254811,
activity:1254812,
activity:1254813,
activity:1254814,
activity:1254815,
activity:1254816,
activity:1254817,
activity:1254818,
activity:1293816,
activity:2319808,
activity:2319809,
activity:2326346,
activity:2326355,
activity:2326364,
activity:2326373,
activity:2480129,
activity:3653913,
activity:3672618,
activity:3692477,
activity:3697339,
activity:3701105,
activity:3705067,
activity:3708538,
activity:3712893,
activity:3734010,
activity:3758732,
activity:3765036,
activity:3772534,
activity:3807951,
activity:3859851,
activity:3862551,
activity:3907505,
activity:3915235,
activity:3935293,
activity:3947358,
activity:3950748,
activity:3952970,
activity:4015519,
activity:4019509,
activity:4031222,
activity:4076549,
activity:4102190,
activity:4125787,
activity:4128878,
activity:4147523,
activity:4362996,
activity:4388224,
activity:4401562,
activity:4405366,
activity:4463705,
activity:4469821,
activity:4519996,
activity:4520700,
activity:4529306,
activity:4532335,
activity:4543271,
activity:4543981,
activity:4560338,
activity:4583354,
activity:4583887
|
