General Information of the Compound
| Compound ID |
CP0408057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3-carbamoylphenyl)phenyl] N-[4-(4-phenylpiperazin-1-yl)butyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N4O3
|
||||||||||||||||||
| Molecular Weight |
472.589
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N4O3/c29-27(33)24-8-6-7-23(21-24)22-11-13-26(14-12-22)35-28(34)30-15-4-5-16-31-17-19-32(20-18-31)25-9-2-1-3-10-25/h1-3,6-14,21H,4-5,15-20H2,(H2,29,33)(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDNDGTZHSMYBCZ-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