General Information of the Compound
| Compound ID |
CP0375601
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-Hydroxy-3-iodophenyl)-2-(3-((S)-1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21IN2O6
|
||||||||||||||||||
| Molecular Weight |
464.256
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](CC(C)C)NC(=O)NC(C(O)=O)c1ccc(O)c(I)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21IN2O6/c1-8(2)6-11(15(23)25-3)18-16(24)19-13(14(21)22)9-4-5-12(20)10(17)7-9/h4-5,7-8,11,13,20H,6H2,1-3H3,(H,21,22)(H2,18,19,24)/t11-,13?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGJKLURHBXZFKE-AMGKYWFPSA-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