General Information of the Compound
| Compound ID |
CP0543817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4587037
Show/Hide
|
||||||||||||||||||
| Formula |
C20H32N4O4S
|
||||||||||||||||||
| Molecular Weight |
424.567
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N4O4S/c1-21-16-6-2-14(3-7-16)13-29(26,27)24-10-8-17(9-11-24)22-20(25)18-12-19(28-23-18)15-4-5-15/h12,14-17,21H,2-11,13H2,1H3,(H,22,25)/t14-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHQSCCOKDDGBND-KOMQPUFPSA-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