General Information of the Compound
| Compound ID |
CP0577003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-chloro-2-[(4-oxo-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-1-yl)methyl]phenyl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
362.842
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15ClN4O2S/c1-9(22)19-7-11-6-12(17)3-2-10(11)8-21-13-4-5-18-14(13)15(23)20-16(21)24/h2-6,18H,7-8H2,1H3,(H,19,22)(H,20,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZYBHRFKMUJCPS-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