General Information of the Compound
| Compound ID |
CP0896443
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxyphenyl)-4-phenylpiperidin-4-yl)methyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
587.636
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCC(CNC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)(c2ccccc2)CC1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42N4O2.2ClH/c1-22(2)26-19-25(33)20-27(23(3)4)30(26)35-31(37)34-21-32(24-11-7-6-8-12-24)15-17-36(18-16-32)28-13-9-10-14-29(28)38-5;;/h6-14,19-20,22-23H,15-18,21,33H2,1-5H3,(H2,34,35,37);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVEFKGDFZMTCFA-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