General Information of the Compound
| Compound ID |
CP0564324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[2-[(4-tert-butylphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31NO4S
|
||||||||||||||||||
| Molecular Weight |
477.626
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1c(Cc2ccc(cc2)C(C)(C)C)sc2COCCc12)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31NO4S/c1-17(19-7-9-20(10-8-19)27(31)32)29-26(30)25-22-13-14-33-16-24(22)34-23(25)15-18-5-11-21(12-6-18)28(2,3)4/h5-12,17H,13-16H2,1-4H3,(H,29,30)(H,31,32)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOGYSXQEWILMKY-KRWDZBQOSA-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 | |||||||||||||||||||
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