General Information of the Compound
| Compound ID |
CP0452531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-{[4-(4-fluorophenyl)-2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl]formamido}butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36FN3O5
|
||||||||||||||||||
| Molecular Weight |
549.643
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36FN3O5/c1-17-14-18(2)26(19(3)15-17)35-30(39)33-25-16-22(21-8-11-23(32)12-9-21)10-13-24(25)28(36)34-27(29(37)38)20(4)40-31(5,6)7/h8-16,20,27H,1-7H3,(H,34,36)(H,37,38)(H2,33,35,39)/t20-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGTWUMJDHFUSBH-HRFSGMKKSA-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