General Information of the Compound
| Compound ID |
CP0487465
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaen-13-ylideneaminooxy)-N-[2-(1-methyl-1H-pyrrol-2-yl)-ethyl]-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClN3O7
|
||||||||||||||||||
| Molecular Weight |
544.004
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)NCCc1cccn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClN3O7/c1-16-12-23-22(38-23)8-4-3-6-17(13-19-25(27(35)37-16)20(32)14-21(33)26(19)28)30-36-15-24(34)29-10-9-18-7-5-11-31(18)2/h3-8,11,14,16,22-23,32-33H,9-10,12-13,15H2,1-2H3,(H,29,34)/b6-3+,8-4-,30-17+/t16-,22-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIALVTVAHHPYHV-LQIIXYEVSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound