General Information of the Compound
| Compound ID |
CP0466566
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23N3O3
|
||||||||||||||||||
| Molecular Weight |
317.389
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23N3O3/c1-11(2)9-19-16(21)15(20-17(22)23-3)8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10-11,15,18H,8-9H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXYRPRLAONROJE-HNNXBMFYSA-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