General Information of the Compound
| Compound ID |
CP0438681
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| Compound Name |
(2S)-N-[2-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C29H39N7O5S
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| Molecular Weight |
597.742
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C29H39N7O5S/c1-20(2)15-25(34-29(39)26(35-36-31)17-21-7-5-4-6-8-21)28(38)32-19-27(37)33-24(13-14-42(3,40)41)16-22-9-11-23(18-30)12-10-22/h4-14,20,24-26H,15-19,30H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)/b14-13+/t24-,25+,26+/m1/s1
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| InChIKey |
CYUDNVHRSXYTBO-NBVRWERZSA-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