General Information of the Compound
| Compound ID |
CP0395934
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3622356
Show/Hide
|
||||||||||||||||||
| Formula |
C27H36N4O5S
|
||||||||||||||||||
| Molecular Weight |
528.675
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)OC(=O)N(C)CCN(C)C)c1ccccc1)=NS2(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N4O5S/c1-30(2)17-18-31(3)26(32)36-21-13-15-27(16-14-21,20-9-6-5-7-10-20)19-28-25-24-22(35-4)11-8-12-23(24)37(33,34)29-25/h5-12,21H,13-19H2,1-4H3,(H,28,29)/t21-,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYHASWSOIHPBLC-GBWRQWNLSA-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