General Information of the Compound
| Compound ID |
CP0272580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-propan-2-ylpyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34Cl2N8O2
|
||||||||||||||||||
| Molecular Weight |
549.507
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34Cl2N8O2/c1-4-16-14-34(23-21(27)31-19(13-29-23)24(36)30-15(2)3)11-12-35(16)17-7-9-33(10-8-17)25(37)18-5-6-20(26)32-22(18)28/h5-6,13,15-17H,4,7-12,14H2,1-3H3,(H2,28,32)(H,30,36)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXOBHXULBSGIAE-INIZCTEOSA-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