General Information of the Compound
| Compound ID |
CP0527492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(2R)-1-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-[4-(carboxymethoxy)phenyl]-1-oxopropan-2-yl]amino]-2-oxoacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N5O10
|
||||||||||||||||||
| Molecular Weight |
717.776
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N5O10/c38-30(43)21-29(32(46)39-19-7-11-25-10-6-9-24-8-2-3-12-27(24)25)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-26(16-14-23)52-22-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZMYXAMTIOVAPK-WDYNHAJCSA-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