General Information of the Compound
| Compound ID |
CP0468134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Phenyl-1-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N2O
|
||||||||||||||||||
| Molecular Weight |
438.615
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccc1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N2O/c33-30(20-24-10-4-1-5-11-24)32-22-28(29(23-32)27-14-8-3-9-15-27)21-31-18-16-26(17-19-31)25-12-6-2-7-13-25/h1-15,26,28-29H,16-23H2/t28-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNKKMHNVKWDTQP-URLMMPGGSA-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