General Information of the Compound
| Compound ID |
CP0552165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-(3-hydroxyphenyl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2O4
|
||||||||||||||||||
| Molecular Weight |
394.471
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C(Cc1cccc(O)c1)NC(=O)Nc1c2CCCc2cc2CCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2O4/c1-29-22(27)20(12-14-5-2-8-17(26)11-14)24-23(28)25-21-18-9-3-6-15(18)13-16-7-4-10-19(16)21/h2,5,8,11,13,20,26H,3-4,6-7,9-10,12H2,1H3,(H2,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOQFTXYOFWPWEA-UHFFFAOYSA-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