General Information of the Compound
| Compound ID |
CP0499212
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(3'-Cyano-biphenyl-4-yl)-1-isopropyl-piperidin-4-ylmethyl]-3-(3,5-dichloro-phenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
521.492
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30Cl2N4O/c1-20(2)35-12-10-29(11-13-35,19-33-28(36)34-27-16-25(30)15-26(31)17-27)24-8-6-22(7-9-24)23-5-3-4-21(14-23)18-32/h3-9,14-17,20H,10-13,19H2,1-2H3,(H2,33,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDFREDVMUDXVQO-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