General Information of the Compound
| Compound ID |
CP0252770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3S)-2-[(4-phenylmethoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N2O3
|
||||||||||||||||||
| Molecular Weight |
426.516
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(OCc3ccccc3)cc1)[nH]c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N2O3/c1-31-27(30)26-15-23-22-9-5-6-10-24(22)28-25(23)17-29(26)16-19-11-13-21(14-12-19)32-18-20-7-3-2-4-8-20/h2-14,26,28H,15-18H2,1H3/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXLNXIHLKPTBFY-SANMLTNESA-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