General Information of the Compound
| Compound ID |
CP0857821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
peptidomimetic
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N5O3
|
||||||||||||||||||
| Molecular Weight |
443.507
|
||||||||||||||||||
| Canonical SMILES |
O=C(N/N=C/c1ccco1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N5O3/c31-24(26-13-12-18-7-2-1-3-8-18)23(15-19-16-27-22-11-5-4-10-21(19)22)29-25(32)30-28-17-20-9-6-14-33-20/h1-11,14,16-17,23,27H,12-13,15H2,(H,26,31)(H2,29,30,32)/b28-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUAHJOHKMYAYON-OGLMXYFKSA-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