General Information of the Compound
| Compound ID |
CP0506225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazol-4-yl)acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
545.47
|
||||||||||||||||||
| Canonical SMILES |
OC1(Cc2ccccc2)CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26Cl2N4O2/c31-23-12-10-22(11-13-23)28-24(14-17-33)27(34-36(28)26-9-5-4-8-25(26)32)29(37)35-18-15-30(38,16-19-35)20-21-6-2-1-3-7-21/h1-13,38H,14-16,18-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPRPWFMPSMOCSC-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