General Information of the Compound
| Compound ID |
CP0957727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-ethoxy-4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)phenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N4O7
|
||||||||||||||||||
| Molecular Weight |
542.633
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(CC(=O)O)c(OCC)c2)n1)[C@@H](CC)N(O)C=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N4O7/c1-4-7-8-10-21(24(5-2)32(38)18-33)27(36)29-17-30-28(37)23-12-9-11-22(31-23)19-13-14-20(16-26(34)35)25(15-19)39-6-3/h9,11-15,18,21,24,38H,4-8,10,16-17H2,1-3H3,(H,29,36)(H,30,37)(H,34,35)/t21-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHCCVIFZSNASGS-ZJSXRUAMSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2