General Information of the Compound
| Compound ID |
CP0438406
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[3,3-diphenylpropyl(3-piperazin-1-ylpropyl)carbamoyl]amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N4O3
|
||||||||||||||||||
| Molecular Weight |
514.67
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(NC(=O)N(CCCN2CCNCC2)CCC(c2ccccc2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N4O3/c1-38-30(36)27-14-8-15-28(24-27)33-31(37)35(20-9-19-34-22-17-32-18-23-34)21-16-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-8,10-15,24,29,32H,9,16-23H2,1H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWQQPQNMXNTQJQ-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