General Information of the Compound
| Compound ID |
CP0558514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4578574
Show/Hide
|
||||||||||||||||||
| Formula |
C25H42N4O4S
|
||||||||||||||||||
| Molecular Weight |
494.702
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H42N4O4S/c1-25(2,3)12-13-26-20-8-4-18(5-9-20)17-34(31,32)29-14-10-21(11-15-29)27-24(30)22-16-23(33-28-22)19-6-7-19/h16,18-21,26H,4-15,17H2,1-3H3,(H,27,30)/t18-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIRLAUBBKPYIDZ-KESTWPANSA-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