General Information of the Compound
| Compound ID |
CP0396469
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]-2-oxoethyl]phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35N2O7PS
|
||||||||||||||||||
| Molecular Weight |
538.603
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N2O7PS/c1-4-6-12-25(5-2)17-36(32,33)22-13-19(15-26-23(28)16-35(29,30)31)21(34-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,27H,4-6,12,15-17H2,1-3H3,(H,26,28)(H2,29,30,31)/t24-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMLUYEROOPDNHV-JWQCQUIFSA-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