General Information of the Compound
| Compound ID |
CP0455541
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,5-dichlorobenzamide
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| Structure |
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| Formula |
C31H42Cl2N4O5S
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| Molecular Weight |
653.673
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C31H42Cl2N4O5S/c1-19(2)14-27(30(39)35-24(12-13-43(5,41)42)16-21-6-8-22(18-34)9-7-21)37-31(40)28(15-20(3)4)36-29(38)25-17-23(32)10-11-26(25)33/h6-13,17,19-20,24,27-28H,14-16,18,34H2,1-5H3,(H,35,39)(H,36,38)(H,37,40)/b13-12+/t24-,27+,28+/m1/s1
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| InChIKey |
DDXLBPPSFZRPRR-OYFVDCMLSA-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