General Information of the Compound
| Compound ID |
CP0453341
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-3-piperidin-1-ylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31F6N3O2
|
||||||||||||||||||
| Molecular Weight |
567.574
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCN2CCCCC2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31F6N3O2/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)8-9-26(39)25(16-20-18-36-24-7-3-2-6-23(20)24)37-27(40)10-13-38-11-4-1-5-12-38/h2-3,6-7,14-15,17-18,25,36H,1,4-5,8-13,16H2,(H,37,40)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJZXJLKOOIOLLK-VWLOTQADSA-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