General Information of the Compound
| Compound ID |
CP0501082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[5-amino-6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-1'-methylspiro[1H-indole-3,4'-piperidine]-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24Cl2FN5O2
|
||||||||||||||||||
| Molecular Weight |
516.404
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Oc1nc(cnc1N)-c1ccc2c(NC(=O)C22CCN(C)CC2)c1)c1c(Cl)ccc(F)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24Cl2FN5O2/c1-13(20-16(26)5-6-17(28)21(20)27)35-23-22(29)30-12-19(31-23)14-3-4-15-18(11-14)32-24(34)25(15)7-9-33(2)10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H2,29,30)(H,32,34)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
USZCHXCWTFDLQZ-CYBMUJFWSA-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