General Information of the Compound
| Compound ID |
CP0482554
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3-chlorophenyl)methyl]-4-[5-[[2-(methanesulfonamido)phenyl]methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28ClN3O4S2
|
||||||||||||||||||
| Molecular Weight |
606.169
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28ClN3O4S2/c1-41(38,39)34-26-10-3-2-8-24(26)20-35-27-11-4-5-12-28(27)40-29(18-30(35)36)22-13-15-23(16-14-22)31(37)33-19-21-7-6-9-25(32)17-21/h2-17,29,34H,18-20H2,1H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTURPNFBVZMAJM-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