General Information of the Compound
| Compound ID |
CP0547053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N2O2
|
||||||||||||||||||
| Molecular Weight |
304.349
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N2O2/c1-23-19(22)12-6-7-18-16(9-12)14(11-21-18)8-13-10-20-17-5-3-2-4-15(13)17/h2-7,9-11,20-21H,8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLXMAUSXJCDMJA-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