General Information of the Compound
| Compound ID |
CP0476384
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C35H51N5O5S2
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| Molecular Weight |
685.957
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| Canonical SMILES |
Cc1ncc(s1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C35H51N5O5S2/c1-24-37-23-32(46-24)35(43)40-31(21-26-11-7-4-8-12-26)34(42)39-30(20-25-9-5-3-6-10-25)33(41)38-29(17-18-47(2,44)45)19-27-13-15-28(22-36)16-14-27/h13-18,23,25-26,29-31H,3-12,19-22,36H2,1-2H3,(H,38,41)(H,39,42)(H,40,43)/b18-17+/t29-,30+,31+/m1/s1
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| InChIKey |
CGCLRQPHSWEMKW-OQFUHSCSSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03496, Proteasome subunit beta type-10
Protein ID: PT02579, Proteasome subunit beta type-2