General Information of the Compound
| Compound ID |
CP0396537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-1-[3-chloro-6-cyano-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-7-yl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
400.792
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c2c(N3CCC(N)(CC3)C(N)=O)c(C#N)c(nc2c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClF3N6O/c1-7-9(17)10-11(24-7)12(8(6-21)13(25-10)16(18,19)20)26-4-2-15(23,3-5-26)14(22)27/h24H,2-5,23H2,1H3,(H2,22,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJDLSGMOAPOMGA-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: PT05802, Sodium-dependent phosphate transport protein 2A
Protein ID: PT06327, Sodium-dependent phosphate transport protein 2B
Protein ID: PT06563, Sodium-dependent phosphate transport protein 2C
Protein ID: PT06459, Sodium-dependent phosphate transporter 1
Protein ID: PT06507, Sodium-dependent phosphate transporter 2