General Information of the Compound
| Compound ID |
CP0536885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-4-cyclohexyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxobutan-2-yl]-3-methylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H51N7O5
|
||||||||||||||||||
| Molecular Weight |
673.859
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CCC1CCCCC1)C(=O)[C@@]1(C)CO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H51N7O5/c1-24(2)32(36(48)40-29(33(45)37(3)23-49-37)19-18-25-10-6-4-7-11-25)42-34(46)30(20-27-14-16-28(22-38)17-15-27)41-35(47)31(43-44-39)21-26-12-8-5-9-13-26/h5,8-9,12-17,24-25,29-32H,4,6-7,10-11,18-23,38H2,1-3H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,37+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBHBYJJWABADGJ-ICQXYBJGSA-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
Protein ID: PT03496, Proteasome subunit beta type-10
Protein ID: PT02579, Proteasome subunit beta type-2