General Information of the Compound
| Compound ID |
CP0446743
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C26H36N6O5S
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| Molecular Weight |
544.678
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C26H36N6O5S/c1-17(2)13-22(32-26(35)23-16-28-10-11-29-23)25(34)30-18(3)24(33)31-21(9-12-38(4,36)37)14-19-5-7-20(15-27)8-6-19/h5-12,16-18,21-22H,13-15,27H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/b12-9+/t18-,21+,22-/m0/s1
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| InChIKey |
ZBIOPBLGGBBFBZ-UXZFPAPTSA-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