General Information of the Compound
| Compound ID |
CP0491613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-benzoic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N2O3
|
||||||||||||||||||
| Molecular Weight |
482.624
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N2O3/c1-36-31(35)28-15-9-8-14-27(28)30(34)33-21-26(29(22-33)25-12-6-3-7-13-25)20-32-18-16-24(17-19-32)23-10-4-2-5-11-23/h2-15,24,26,29H,16-22H2,1H3/t26-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDNUJFRZHNNMOR-LITSAYRRSA-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