General Information of the Compound
| Compound ID |
CP0553755
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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]-6-phenylpyridine-3-carboxamide
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| Structure |
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| Formula |
C36H47N5O5S
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| Molecular Weight |
661.869
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(nc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C36H47N5O5S/c1-24(2)19-32(35(43)39-30(17-18-47(5,45)46)21-26-11-13-27(22-37)14-12-26)41-36(44)33(20-25(3)4)40-34(42)29-15-16-31(38-23-29)28-9-7-6-8-10-28/h6-18,23-25,30,32-33H,19-22,37H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/b18-17+/t30-,32+,33+/m1/s1
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| InChIKey |
NDVPAPQGOZGJQP-DPSBBIDJSA-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