General Information of the Compound
| Compound ID |
CP0455537
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| Compound Name |
N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-[[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C36H53N5O5S2
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| Molecular Weight |
699.984
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC1CCC2CCCCC2C1)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/C36H53N5O5S2/c1-23(2)17-31(34(42)39-30(15-16-48(4,45)46)19-25-9-11-26(21-37)12-10-25)40-35(43)32(41-36(44)33-22-38-24(3)47-33)20-27-13-14-28-7-5-6-8-29(28)18-27/h9-12,15-16,22-23,27-32H,5-8,13-14,17-21,37H2,1-4H3,(H,39,42)(H,40,43)(H,41,44)/b16-15+/t27?,28?,29?,30-,31+,32+/m1/s1
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| InChIKey |
AHJNDDZOGGKNRY-BRSBMCIASA-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