General Information of the Compound
| Compound ID |
CP0195338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclohexyl)piperazin-1-yl)((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H46ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
585.208
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-28(26-8-10-27(34)11-9-26)29(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-25-7-12-31(41-3)30(35)19-25/h7-12,19,24,28-29,36H,4-6,13-18,20-23H2,1-3H3/t28-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQIQXCRYYCAMIP-WDYNHAJCSA-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