General Information of the Compound
| Compound ID |
CP0145054
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| Compound Name |
(2S)-N-[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C35H44N8O5S
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| Molecular Weight |
688.855
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C35H44N8O5S/c1-24(2)19-30(33(44)39-29(15-18-49(3,47)48)20-26-9-11-28(23-36)12-10-26)40-34(45)31(21-27-13-16-38-17-14-27)41-35(46)32(42-43-37)22-25-7-5-4-6-8-25/h4-18,24,29-32H,19-23,36H2,1-3H3,(H,39,44)(H,40,45)(H,41,46)/b18-15+/t29-,30+,31+,32+/m1/s1
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| InChIKey |
YIGNKMPOJDLDAJ-BZNPCLEFSA-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