General Information of the Compound
| Compound ID |
CP0499578
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-6-chloro-5-[(3S)-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31ClN8O
|
||||||||||||||||||
| Molecular Weight |
483.02
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(cc2)C#N)CC1)c1nc(N)c(nc1Cl)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31ClN8O/c1-2-18-15-32(24-21(25)29-20(23(28)34)22(27)30-24)11-12-33(18)19-7-9-31(10-8-19)14-17-5-3-16(13-26)4-6-17/h3-6,18-19H,2,7-12,14-15H2,1H3,(H2,27,30)(H2,28,34)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXLAFHSBJGVIOP-SFHVURJKSA-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