General Information of the Compound
| Compound ID |
CP0314808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3R)-2-(2-phenylethylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O3
|
||||||||||||||||||
| Molecular Weight |
377.444
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H]1Cc2c(CN1C(=O)NCCc1ccccc1)[nH]c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O3/c1-28-21(26)20-13-17-16-9-5-6-10-18(16)24-19(17)14-25(20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,20,24H,11-14H2,1H3,(H,23,27)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUCOWQPFXTVMOO-HXUWFJFHSA-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