General Information of the Compound
| Compound ID |
CP0486159
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-((2-hydroxyethyl)(isopropyl)amino)ethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
513.057
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CCO)CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34ClFN4O2/c1-19(2)33(12-13-35)10-11-34(27(36)32-23-6-7-26(30)25(29)16-23)24-8-9-28(17-22(28)15-24)21-5-3-4-20(14-21)18-31/h3-7,14,16,19,22,24,35H,8-13,15,17H2,1-2H3,(H,32,36)/t22?,24-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWMISBWZEWNDJQ-FKCQOYNMSA-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