General Information of the Compound
| Compound ID |
CP0512121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35Cl2N7O2
|
||||||||||||||||||
| Molecular Weight |
536.508
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35Cl2N7O2/c1-2-19-16-33(24-22(27)30-21(23(28)31-24)25(36)29-9-14-35)12-13-34(19)20-7-10-32(11-8-20)15-17-3-5-18(26)6-4-17/h3-6,19-20,35H,2,7-16H2,1H3,(H2,28,31)(H,29,36)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRAJZGSYYNSRAK-IBGZPJMESA-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