General Information of the Compound
| Compound ID |
CP0461587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 395
Show/Hide
|
||||||||||||||||||
| Formula |
C24H35N5O3S
|
||||||||||||||||||
| Molecular Weight |
473.643
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCOCC3)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H35N5O3S/c1-16-21-15-22(33-24(21)29(26-16)20-7-13-32-14-8-20)23(31)25-18-3-5-19(6-4-18)28-11-9-27(10-12-28)17(2)30/h15,18-20H,3-14H2,1-2H3,(H,25,31)/t18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKLSCOYQKMRIFC-WGSAOQKQSA-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 | |||||||||||||||||||
| 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