General Information of the Compound
| Compound ID |
CP0431919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-3-(4-methoxycyclohexyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-methylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H51N7O6
|
||||||||||||||||||
| Molecular Weight |
689.858
|
||||||||||||||||||
| Canonical SMILES |
COC1CCC(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(C)C)C(=O)[C@@]2(C)CO2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H51N7O6/c1-23(2)32(36(48)40-29(33(45)37(3)22-50-37)18-26-14-16-28(49-4)17-15-26)42-34(46)30(19-25-10-12-27(21-38)13-11-25)41-35(47)31(43-44-39)20-24-8-6-5-7-9-24/h5-13,23,26,28-32H,14-22,38H2,1-4H3,(H,40,48)(H,41,47)(H,42,46)/t26?,28?,29-,30-,31-,32-,37+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKZNHVNDIDNJLS-SHMQMBFDSA-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