General Information of the Compound
| Compound ID |
CP0497458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-(hydroxymethyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21Cl2F3N4O3
|
||||||||||||||||||
| Molecular Weight |
481.302
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN([C@H](CO)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21Cl2F3N4O3/c1-11-17(21)18(19(22,23)24)25-28(11)9-16(30)27-6-5-26(8-13(27)10-29)12-3-4-14(20)15(7-12)31-2/h3-4,7,13,29H,5-6,8-10H2,1-2H3/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZBXKQHIVDHCTD-ZDUSSCGKSA-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