General Information of the Compound
| Compound ID |
CP0542100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4643088
Show/Hide
|
||||||||||||||||||
| Formula |
C25H26Cl2N4O4
|
||||||||||||||||||
| Molecular Weight |
517.413
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CC(N)=O)CC1)-c1cc(Cl)c(O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26Cl2N4O4/c1-2-35-25(34)16-12-29-20-8-7-19(14-10-17(26)24(33)18(27)11-14)31-23(20)22(16)30-15-5-3-13(4-6-15)9-21(28)32/h7-8,10-13,15,33H,2-6,9H2,1H3,(H2,28,32)(H,29,30)/t13-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXKGOYYWEPACQN-CTYIDZIISA-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 | |||||||||||||||||||
| 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