General Information of the Compound
| Compound ID |
CP0076027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3R)-2-(cyclohexylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N3O3
|
||||||||||||||||||
| Molecular Weight |
355.438
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H]1Cc2c(CN1C(=O)NC1CCCCC1)[nH]c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3O3/c1-26-19(24)18-11-15-14-9-5-6-10-16(14)22-17(15)12-23(18)20(25)21-13-7-3-2-4-8-13/h5-6,9-10,13,18,22H,2-4,7-8,11-12H2,1H3,(H,21,25)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRRGPWRKDIBWQE-GOSISDBHSA-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