General Information of the Compound
| Compound ID |
CP0516787
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 331
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N5O3S
|
||||||||||||||||||
| Molecular Weight |
417.535
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](CN1C(=O)CNC1=O)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N5O3S/c1-3-13(11-24-17(26)10-21-20(24)28)22-18(27)16-9-15-12(2)23-25(19(15)29-16)14-7-5-4-6-8-14/h9,13-14H,3-8,10-11H2,1-2H3,(H,21,28)(H,22,27)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSGOGRAJONDNBK-CYBMUJFWSA-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