General Information of the Compound
| Compound ID |
CP0557331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3361190
Show/Hide
|
||||||||||||||||||
| Formula |
C26H31N5O3S
|
||||||||||||||||||
| Molecular Weight |
493.633
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N5O3S/c1-35(33,34)31-25(32)22-14-12-20(13-15-22)18-28-26-29-23(21-10-6-3-7-11-21)16-24(30-26)27-17-19-8-4-2-5-9-19/h2-11,16,20,22H,12-15,17-18H2,1H3,(H,31,32)(H2,27,28,29,30)/t20-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPMXVZNIDVKQNM-AQYVVDRMSA-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