General Information of the Compound
| Compound ID |
CP0451810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1R,2S,5R)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-(3,5-dichlorophenyl)-1-(2-pyrrolidin-1-ylethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
483.443
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)N(CCN2CCCC2)[C@H]2CC[C@]3(C[C@@H]23)c2cccc(c2)C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28Cl2N4O/c27-20-13-21(28)15-22(14-20)30-25(33)32(11-10-31-8-1-2-9-31)24-6-7-26(16-23(24)26)19-5-3-4-18(12-19)17-29/h3-5,12-15,23-24H,1-2,6-11,16H2,(H,30,33)/t23-,24-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZNTUEIYDXJFLU-GNKBHMEESA-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