General Information of the Compound
| Compound ID |
CP0573101
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(cyclopropyl- carbamoyl) methyl]-2- methanesulfonyl- 2-(6-phenyl-1,3- benzothiazol- 2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O4S2
|
||||||||||||||||||
| Molecular Weight |
443.55
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCC(=O)NC1CC1)c1nc2ccc(cc2s1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O4S2/c1-30(27,28)19(20(26)22-12-18(25)23-15-8-9-15)21-24-16-10-7-14(11-17(16)29-21)13-5-3-2-4-6-13/h2-7,10-11,15,19H,8-9,12H2,1H3,(H,22,26)(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHCPCACIMXRWEZ-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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