General Information of the Compound
| Compound ID |
CP0515312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35NO7S
|
||||||||||||||||||
| Molecular Weight |
517.644
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35NO7S/c1-4-6-12-27(5-2)17-36(33,34)23-16-20(19(13-24(29)30)14-25(31)32)22(35-3)15-21(23)26(28-27)18-10-8-7-9-11-18/h7-11,15-16,19,26,28H,4-6,12-14,17H2,1-3H3,(H,29,30)(H,31,32)/t26-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOQGDRFVVZHTBL-KAYWLYCHSA-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