General Information of the Compound
| Compound ID |
CP0514000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(2-(1-(2-(1-(3,4-dichlorobenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31Cl2F3N4O3
|
||||||||||||||||||
| Molecular Weight |
599.481
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31Cl2F3N4O3/c29-23-5-4-20(15-24(23)30)27(40)37-12-7-18(8-13-37)6-10-36-11-9-22(17-36)35-25(38)16-34-26(39)19-2-1-3-21(14-19)28(31,32)33/h1-5,14-15,18,22H,6-13,16-17H2,(H,34,39)(H,35,38)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRLCCKOEQNMAQJ-JOCHJYFZSA-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