General Information of the Compound
| Compound ID |
CP0551676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-1-[(2R)-6-amino-2-[[(2R)-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[(1-phenylcyclopropyl)methylamino]acetyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H57N7O6
|
||||||||||||||||||
| Molecular Weight |
719.928
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCC1(CC1)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H57N7O6/c1-27(2)23-31(34(48)44-30(15-9-10-20-40)36(50)46-21-18-39(41,19-22-46)37(51)52)45-35(49)32(24-28-11-5-3-6-12-28)43-33(47)25-42-26-38(16-17-38)29-13-7-4-8-14-29/h3-8,11-14,27,30-32,42H,9-10,15-26,40-41H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H,51,52)/t30-,31-,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYJZJJRRSCESJJ-XWHIBYANSA-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