General Information of the Compound
| Compound ID |
CP0476380
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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]-3-(4-cyclohexylcyclohexyl)-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C38H57N5O5S2
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| Molecular Weight |
728.038
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)c1cnc(C)s1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C38H57N5O5S2/c1-25(2)20-33(36(44)41-32(18-19-50(4,47)48)21-27-10-12-29(23-39)13-11-27)42-37(45)34(43-38(46)35-24-40-26(3)49-35)22-28-14-16-31(17-15-28)30-8-6-5-7-9-30/h10-13,18-19,24-25,28,30-34H,5-9,14-17,20-23,39H2,1-4H3,(H,41,44)(H,42,45)(H,43,46)/b19-18+/t28?,31?,32-,33+,34+/m1/s1
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| InChIKey |
AHUDQFXYXAGUTH-PHLFQAOUSA-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