General Information of the Compound
| Compound ID |
CP0427451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((3R,6S)-6-(3-(acetamidomethyl)phenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
557.154
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(CNC(C)=O)c1)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42ClFN4O2/c1-20(2)36(21(3)4)13-14-37(30(39)35-26-9-10-29(33)28(32)17-26)27-11-12-31(18-25(31)16-27)24-8-6-7-23(15-24)19-34-22(5)38/h6-10,15,17,20-21,25,27H,11-14,16,18-19H2,1-5H3,(H,34,38)(H,35,39)/t25?,27-,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOPIHJAFZWEPQJ-YSPRKPHLSA-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