|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
|
|
chemicalCompound:standardIn... |
HAWSQZCWOQZXHI-FQEVSTJZSA-N
|
|
chemicalCompound:canonicalS... |
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(O)ccc5nc34)C2=O
|
|
chemicalCompound:molecularF... |
C20H16N2O5
|
|
chemicalCompound:moleculeId |
7427
|
|
chemicalCompound:mwFreebase |
364.351
|
|
chemicalCompound:alogp |
1.504
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
99.96
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.926
|
|
chemicalCompound:acdLogP |
0.569
|
|
chemicalCompound:acdLogD |
0.547
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
364.351
|
|
chemicalCompound:acdMostBpk... |
4.969
|
|
chemicalCompound:chemblId |
CHEMBL273862
|
|
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:220417,
activity:220418,
activity:220419,
activity:220420,
activity:220421,
activity:220422,
activity:220423,
activity:220424,
activity:220425,
activity:220426,
activity:322717,
activity:322718,
activity:412236,
activity:412237,
activity:412238,
activity:412239,
activity:490445,
activity:490446,
activity:490447,
activity:490448,
activity:490449,
activity:490450,
activity:660898,
activity:928312,
activity:1072830,
activity:1072831,
activity:1072832,
activity:1072833,
activity:1072834,
activity:1072835,
activity:1072836,
activity:1072837,
activity:1072838,
activity:1072839,
activity:1271883,
activity:1271884,
activity:1271885,
activity:1271886,
activity:1523295,
activity:1523296,
activity:2087326,
activity:2087327,
activity:2087328,
activity:2087329,
activity:2120139,
activity:2120140,
activity:2120145,
activity:2120146,
activity:2120147,
activity:2120148,
activity:2174656,
activity:2174669,
activity:2333793,
activity:2333797,
activity:2537774,
activity:2537779,
activity:2552180,
activity:2552181,
activity:2552182,
activity:2552183,
activity:2662745,
activity:2662746,
activity:2693610,
activity:2693630,
activity:2699364,
activity:2699396
|
