|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
|
|
chemicalCompound:standardIn... |
OOYQRVPZOGWCNP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(cc1)C(=O)c2coc3c4ccccc4C(=O)C(=O)c23
|
|
chemicalCompound:molecularF... |
C20H12O4
|
|
chemicalCompound:moleculeId |
945181
|
|
chemicalCompound:mwFreebase |
316.307
|
|
chemicalCompound:alogp |
4.094
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.34
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.876
|
|
chemicalCompound:acdLogD |
3.876
|
|
chemicalCompound:fullMwt |
316.307
|
|
chemicalCompound:chemblId |
CHEMBL1521297
|
|
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:activity |
activity:3606426,
activity:3659144,
activity:3732041,
activity:3973320,
activity:3999856,
activity:4045926,
activity:4086827,
activity:4150935,
activity:4232007,
activity:4318282,
activity:4339253,
activity:4340474,
activity:4381533,
activity:4504671,
activity:4578280,
activity:4607590,
activity:4799299,
activity:4816432,
activity:4901117,
activity:5333571,
activity:5404164,
activity:5421642,
activity:5651260,
activity:5683913,
activity:5803377,
activity:5863292,
activity:5869455,
activity:6445492,
activity:6448817,
activity:6460923,
activity:6468036,
activity:6769547,
activity:6862427,
activity:6997553,
activity:7029850,
activity:7052445,
activity:7067407,
activity:7301448,
activity:7369923,
activity:7410551,
activity:7446703,
activity:7501598,
activity:7564266,
activity:8265157,
activity:9791426,
activity:9987436,
activity:10422532,
activity:10426779,
activity:10429536
|
