General Information of the Compound
| Compound ID |
CP0427459
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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-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-2-methylbenzamide
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| Structure |
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| Formula |
C28H38N4O7S
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| Molecular Weight |
574.7
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1
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| InChIKey |
YHIZZZRSMFJLII-CMSKXGNJSA-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: PT02583, Proteasome subunit beta type-1
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT02585, Proteasome subunit beta type-5