General Information of the Compound
| Compound ID |
CP0238212
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-(3-chloro-2-methylindazol-5-yl)-5-methyl-4-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]imidazol-2-yl]-2-fluorobenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23ClFN7O
|
||||||||||||||||||
| Molecular Weight |
491.958
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23ClFN7O/c1-14-22(25(35)33-9-8-17(13-33)29-2)30-24(15-4-5-16(12-28)20(27)10-15)34(14)18-6-7-21-19(11-18)23(26)32(3)31-21/h4-7,10-11,17,29H,8-9,13H2,1-3H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHRYSYNKTDKAKX-KRWDZBQOSA-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