General Information of the Compound
| Compound ID |
CP0708402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-amino-6-cyclopentyl-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O5
|
||||||||||||||||||
| Molecular Weight |
398.459
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2ccc(C3CCCC3)cc2C1C(C#N)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O5/c1-3-27-21(25)16(12-23)18-15-11-14(13-7-5-6-8-13)9-10-17(15)29-20(24)19(18)22(26)28-4-2/h9-11,13,16,18H,3-8,24H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVLJEJGYBPEKCU-UHFFFAOYSA-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
Protein ID: PT01216, Apoptosis regulator Bcl-2
Protein ID: PT01217, Bcl-2-like protein 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000001 | Jurkat | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 3500 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|