General Information of the Compound
| Compound ID |
CP0413598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-[[6-[3-(4-methyl-1,4-diazepan-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClN5O4S2
|
||||||||||||||||||
| Molecular Weight |
550.106
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClN5O4S2/c1-29-10-4-11-30(14-13-29)12-5-15-36(33,34)17-8-9-20-21(16-17)35-24(26-20)28-23(32)27-22(31)18-6-2-3-7-19(18)25/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,26,27,28,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFGBHCFPHAYFCW-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