General Information of the Compound
| Compound ID |
CP0506360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34N8O4
|
||||||||||||||||||
| Molecular Weight |
498.588
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34N8O4/c1-14(21(34)28-17(19(25)33)12-15-8-4-2-5-9-15)27-22(35)18(13-16-10-6-3-7-11-16)29-23(36)20-30-24(26)32-31-20/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3,(H2,25,33)(H,27,35)(H,28,34)(H,29,36)(H3,26,30,31,32)/t14-,17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXOCNYVVIKLLMX-WBAXXEDZSA-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