General Information of the Compound
| Compound ID |
CP0544574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8536198, 10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35ClN2O5
|
||||||||||||||||||
| Molecular Weight |
527.061
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CC2(CC[C@H]1NC(=O)c1ccccc1)OCCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35ClN2O5/c1-27(2)19-32(15-14-29(27,35)21-8-10-22(30)11-9-21)26(34)23-18-28(36-16-17-37-28)13-12-24(23)31-25(33)20-6-4-3-5-7-20/h3-11,23-24,35H,12-19H2,1-2H3,(H,31,33)/t23-,24+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNWKOBQJXCWAGM-IRYADYCUSA-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