General Information of the Compound
| Compound ID |
CP0183634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-morpholin-4-ylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F6N3O3
|
||||||||||||||||||
| Molecular Weight |
555.519
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN2CCOCC2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F6N3O3/c28-26(29,30)19-11-17(12-20(14-19)27(31,32)33)5-6-24(37)23(35-25(38)16-36-7-9-39-10-8-36)13-18-15-34-22-4-2-1-3-21(18)22/h1-4,11-12,14-15,23,34H,5-10,13,16H2,(H,35,38)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXOFDARLDVKZQB-QHCPKHFHSA-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