General Information of the Compound
| Compound ID |
CP0535081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-pyrrolidin-3-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37N3O3
|
||||||||||||||||||
| Molecular Weight |
451.611
|
||||||||||||||||||
| Canonical SMILES |
COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N3O3/c1-32-20-25-7-5-16-29(25)19-21-9-11-23(12-10-21)27(31)30(24-13-15-28-18-24)17-14-22-6-3-4-8-26(22)33-2/h3-4,6,8-12,24-25,28H,5,7,13-20H2,1-2H3/t24?,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOQHHDCNSWECFD-BBMPLOMVSA-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