General Information of the Compound
| Compound ID |
CP0945265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
487.025
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2)c1c[nH]cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClN4O3S/c25-19-5-3-18(4-6-19)24(9-1-10-24)23-21-14-20(7-2-17(21)8-11-27-23)32-13-12-29-33(30,31)22-15-26-16-28-22/h2-7,14-16,23,27,29H,1,8-13H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLGQHKACWOPULX-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