General Information of the Compound
| Compound ID |
CP0473958
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-oxo-2-[3-(pyridine-2-carbonylamino)anilino]ethyl] 4-pyrimidin-2-ylpiperazine-1-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N7O2S2
|
||||||||||||||||||
| Molecular Weight |
493.618
|
||||||||||||||||||
| Canonical SMILES |
O=C(CSC(=S)N1CCN(CC1)c1ncccn1)Nc1cccc(NC(=O)c2ccccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N7O2S2/c31-20(16-34-23(33)30-13-11-29(12-14-30)22-25-9-4-10-26-22)27-17-5-3-6-18(15-17)28-21(32)19-7-1-2-8-24-19/h1-10,15H,11-14,16H2,(H,27,31)(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVJHXPFDHRPMKP-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 | |||||||||||||||||||
| 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