General Information of the Compound
| Compound ID |
CP0465052
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N5O3
|
||||||||||||||||||
| Molecular Weight |
383.452
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N5O3/c1-13(2)28-20(27)25-18(19(26)22-8-7-15-11-21-12-24-15)9-14-10-23-17-6-4-3-5-16(14)17/h3-6,10-13,18,23H,7-9H2,1-2H3,(H,21,24)(H,22,26)(H,25,27)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHMNRPMWYIAENB-SFHVURJKSA-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