General Information of the Compound
| Compound ID |
CP0540612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-N-[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3OS
|
||||||||||||||||||
| Molecular Weight |
377.513
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1ncc(CN2CCC(C2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3OS/c1-16-7-9-18(10-8-16)21(26)24-22-23-13-20(27-22)15-25-12-11-19(14-25)17-5-3-2-4-6-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,23,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNFNXXMHRXNNTG-UHFFFAOYSA-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