General Information of the Compound
| Compound ID |
CP0400836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-6-chloro-5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29Cl2N7O2
|
||||||||||||||||||
| Molecular Weight |
506.438
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29Cl2N7O2/c1-2-16-13-31(22-19(25)28-18(21(27)33)20(26)29-22)11-12-32(16)17-7-9-30(10-8-17)23(34)14-3-5-15(24)6-4-14/h3-6,16-17H,2,7-13H2,1H3,(H2,26,29)(H2,27,33)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUOXRSXWXLXWHO-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