General Information of the Compound
| Compound ID |
CP0438967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2087324
Show/Hide
|
||||||||||||||||||
| Formula |
C25H34N4O4
|
||||||||||||||||||
| Molecular Weight |
454.571
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(C)=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N4O4/c1-15(2)29-23-7-5-4-6-17(23)10-22(25(29)33)24(32)27-18-11-19-8-9-20(12-18)28(19)14-21(31)13-26-16(3)30/h4-7,10,15,18-21,31H,8-9,11-14H2,1-3H3,(H,26,30)(H,27,32)/t18-,19+,20-,21?
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNXGFQKHBSEETN-CWNQJQRUSA-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