General Information of the Compound
| Compound ID |
CP0518253
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067871, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
475.014
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3ccc(Cl)cc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27ClN4O3S/c1-28-14-23(26-15-28)32(29,30)27-10-11-31-19-8-4-17-5-9-22(25)21(20(17)13-19)12-16-2-6-18(24)7-3-16/h2-4,6-8,13-15,21-22,27H,5,9-12,25H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDNOZCUSVDKDHB-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