General Information of the Compound
| Compound ID |
CP0637356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-Chloro-pyridin-2-yl)-N-((S)-2-hydroxy-1-methyl-ethyl)-5-(isobutyryl-methyl-amino)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24ClN3O3
|
||||||||||||||||||
| Molecular Weight |
389.883
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(Cl)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24ClN3O3/c1-12(2)20(27)24(4)17-8-14(18-6-5-16(21)10-22-18)7-15(9-17)19(26)23-13(3)11-25/h5-10,12-13,25H,11H2,1-4H3,(H,23,26)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZKZJOZDGPVBHX-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