General Information of the Compound
| Compound ID |
CP0438178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Amino-pyrazine-2-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H42N10O4
|
||||||||||||||||||
| Molecular Weight |
594.721
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nccnc1N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H42N10O4/c30-24-23(34-14-15-35-24)28(43)39-22(17-19-10-5-2-6-11-19)27(42)37-20(12-7-13-36-29(32)33)26(41)38-21(25(31)40)16-18-8-3-1-4-9-18/h1,3-4,8-9,14-15,19-22H,2,5-7,10-13,16-17H2,(H2,30,35)(H2,31,40)(H,37,42)(H,38,41)(H,39,43)(H4,32,33,36)/t20-,21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNKQRTURXKUMIW-FKBYEOEOSA-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