General Information of the Compound
| Compound ID |
CP0382068
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
429.883
|
||||||||||||||||||
| Canonical SMILES |
COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClFN5O2/c1-14(13-30-2)25-20-24-12-11-19(27-20)28(16-9-7-15(23)8-10-16)21(29)26-18-6-4-3-5-17(18)22/h3-12,14H,13H2,1-2H3,(H,26,29)(H,24,25,27)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEJUIINWBWSIHM-AWEZNQCLSA-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