General Information of the Compound
| Compound ID |
CP0144205
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-chloro-4-((1-isobutyrylpyrrolidin-3-yl)(2-(trifluoromethyl)benzyl)amino)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
449.904
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClF3N3O/c1-15(2)22(31)29-10-9-19(14-29)30(18-8-7-16(12-28)21(24)11-18)13-17-5-3-4-6-20(17)23(25,26)27/h3-8,11,15,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMKBAQWLEDSCAP-IBGZPJMESA-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