General Information of the Compound
| Compound ID |
CP0387287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[(5-methoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N2O4
|
||||||||||||||||||
| Molecular Weight |
362.385
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(cc34)C(=O)OC)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N2O4/c1-26-20(24)12-3-5-18-16(8-12)14(10-22-18)7-15-11-23-19-6-4-13(9-17(15)19)21(25)27-2/h3-6,8-11,22-23H,7H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPLKUPGRQZBQAS-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