General Information of the Compound
| Compound ID |
CP0506017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-chloro-4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30ClN3O3
|
||||||||||||||||||
| Molecular Weight |
492.019
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30ClN3O3/c1-28(2,20-9-5-4-6-10-20)27(34)30-21-13-14-24(23(29)19-21)31-15-17-32(18-16-31)26(33)22-11-7-8-12-25(22)35-3/h4-14,19H,15-18H2,1-3H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNQCAXFCIDUDLF-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