General Information of the Compound
| Compound ID |
CP0510507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclohexyl-1-[2-(3-methoxyphenyl)ethyl]-1-[[2-(4-piperazin-1-ylphenyl)phenyl]methyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42N4O2
|
||||||||||||||||||
| Molecular Weight |
526.725
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCN(Cc2ccccc2-c2ccc(cc2)N2CCNCC2)C(=O)NC2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H42N4O2/c1-39-31-12-7-8-26(24-31)18-21-37(33(38)35-29-10-3-2-4-11-29)25-28-9-5-6-13-32(28)27-14-16-30(17-15-27)36-22-19-34-20-23-36/h5-9,12-17,24,29,34H,2-4,10-11,18-23,25H2,1H3,(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGONZPPAFAIBGE-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