General Information of the Compound
| Compound ID |
CP0434219
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31F6N3O3
|
||||||||||||||||||
| Molecular Weight |
583.573
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31F6N3O3/c1-18(39)37-10-8-21(9-11-37)26(40)38-16-24(20-6-4-3-5-7-20)25(17-38)27(41)36(2)15-19-12-22(28(30,31)32)14-23(13-19)29(33,34)35/h3-7,12-14,21,24-25H,8-11,15-17H2,1-2H3/t24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOPIOMWNHRCPAA-LOSJGSFVSA-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