General Information of the Compound
| Compound ID |
CP0248600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-(2-hydroxyethyl)pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32Cl2N8O3
|
||||||||||||||||||
| Molecular Weight |
551.479
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32Cl2N8O3/c1-2-15-14-33(22-20(26)30-18(13-29-22)23(36)28-7-12-35)10-11-34(15)16-5-8-32(9-6-16)24(37)17-3-4-19(25)31-21(17)27/h3-4,13,15-16,35H,2,5-12,14H2,1H3,(H2,27,31)(H,28,36)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJOAZNLQEABXIN-HNNXBMFYSA-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