General Information of the Compound
Compound ID
CP0411616
Compound Name
N-[(2S)-1-[[(2S)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
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Structure
Formula
C25H48N2O5Si
Molecular Weight
484.754
Canonical SMILES
CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1
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InChI
InChI=1S/C25H48N2O5Si/c1-10-11-12-13-14-21(28)26-19(4)23(30)27-20(15-18(2)3)22(29)25(16-31-25)17-32-33(8,9)24(5,6)7/h18-20H,10-17H2,1-9H3,(H,26,28)(H,27,30)/t19-,20-,25-/m0/s1
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InChIKey
OHYPIFPQEYUPDQ-RLSLOFABSA-N
Physicochemical Property
logP
4.3523
Rotatable Bonds
15
Heavy Atom Count
33
Polar Areas
97.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
33

"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).

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PubChem ID
CID: 24752894
SID: 49655631
ChEMBL ID
CHEMBL3319605
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000174 Raji Homo sapiens (Human)  1
1
IC50 = 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03838, Proteasome subunit beta type-9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000174 Raji Homo sapiens (Human)  1
1
IC50 = 104 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 140 nM