General Information of the Compound
| Compound ID |
CP0526602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829329
Show/Hide
|
||||||||||||||||||
| Formula |
C21H35N3O4S
|
||||||||||||||||||
| Molecular Weight |
425.595
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2N(CCN[C@H]3CC[C@H](CNS(=O)(=O)C(C)C)CC3)CCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H35N3O4S/c1-16(2)29(25,26)23-15-17-4-6-18(7-5-17)22-10-11-24-12-13-28-21-14-19(27-3)8-9-20(21)24/h8-9,14,16-18,22-23H,4-7,10-13,15H2,1-3H3/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNJMSPBOTLSQBR-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