General Information of the Compound
| Compound ID |
CP0446744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-3-(4-methoxycyclohexyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H49N5O6S2
|
||||||||||||||||||
| Molecular Weight |
675.918
|
||||||||||||||||||
| Canonical SMILES |
COC1CCC(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c2cnc(C)s2)C(=O)N[C@@H](Cc2ccc(CN)cc2)\C=C\S(C)(=O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H49N5O6S2/c1-21(2)16-28(38-33(41)30-20-35-22(3)45-30)32(40)37-29(18-24-10-12-27(44-4)13-11-24)31(39)36-26(14-15-46(5,42)43)17-23-6-8-25(19-34)9-7-23/h6-9,14-15,20-21,24,26-29H,10-13,16-19,34H2,1-5H3,(H,36,39)(H,37,40)(H,38,41)/b15-14+/t24?,26-,27?,28+,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJSJQEXSBGRKPG-VKBNMSTMSA-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