General Information of the Compound
| Compound ID |
CP0562664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 172
Show/Hide
|
||||||||||||||||||
| Formula |
C23H36N4O2S
|
||||||||||||||||||
| Molecular Weight |
432.634
|
||||||||||||||||||
| Canonical SMILES |
COCCN(C)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H36N4O2S/c1-16-20-15-21(30-23(20)27(25-16)19-7-5-4-6-8-19)22(28)24-17-9-11-18(12-10-17)26(2)13-14-29-3/h15,17-19H,4-14H2,1-3H3,(H,24,28)/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTPGZSUOWMFVCQ-IYARVYRRSA-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