General Information of the Compound
| Compound ID |
CP0537596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10301278, Example 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20ClN5S
|
||||||||||||||||||
| Molecular Weight |
349.891
|
||||||||||||||||||
| Canonical SMILES |
CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Cl)c(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20ClN5S/c1-16(19)6-8-22(9-7-16)13-10-20-15(14(18)21-13)23-12-5-3-2-4-11(12)17/h2-5,10H,6-9,19H2,1H3,(H2,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPRNFWNEHIBURH-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
Protein ID: PT01346, Tyrosine-protein phosphatase non-receptor type 11
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000269 | KYSE-520 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8140 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|