General Information of the Compound
| Compound ID |
CP0572889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-[[2-[(5-chloropyridin-2-yl)amino]acetyl]amino]piperidin-1-yl]ethyl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36ClF9N8O8
|
||||||||||||||||||
| Molecular Weight |
795.057
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=N)NCCCCC(=O)NCCN1CCC(CC1)NC(=O)CNc1ccc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H33ClN8O2.3C2HF3O2/c21-15-4-5-17(26-13-15)27-14-19(31)28-16-6-10-29(11-7-16)12-9-24-18(30)3-1-2-8-25-20(22)23;3*3-2(4,5)1(6)7/h4-5,13,16H,1-3,6-12,14H2,(H,24,30)(H,26,27)(H,28,31)(H4,22,23,25);3*(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZWCXVUJDLZCGH-UHFFFAOYSA-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 | |||||||||||||||||||
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