General Information of the Compound
| Compound ID |
CP0962100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Methyl 3-((1S,3S)-3-((4-Fluorobenzyl)carbamoyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24FN3O3
|
||||||||||||||||||
| Molecular Weight |
409.461
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CC[C@@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c1[nH]c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FN3O3/c1-30-21(28)11-10-19-22-17(16-4-2-3-5-18(16)27-22)12-20(26-19)23(29)25-13-14-6-8-15(24)9-7-14/h2-9,19-20,26-27H,10-13H2,1H3,(H,25,29)/t19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWDFPQXMRYCTCK-PMACEKPBSA-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