General Information of the Compound
| Compound ID |
CP0912031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6-chloro-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)-4-piperidyl]ethyl]indole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
522.999
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Cl)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30ClF3N4O2/c1-15-12-22(27)32-24(35)20(15)13-31-25(36)23-17(3)34(21-7-5-4-6-19(21)23)16(2)18-8-10-33(11-9-18)14-26(28,29)30/h4-7,12,16,18H,8-11,13-14H2,1-3H3,(H,31,36)(H,32,35)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHXDYWATYDPYIW-MRXNPFEDSA-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