General Information of the Compound
| Compound ID |
CP0552317
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| Compound Name |
(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-[4-(trifluoromethyl)cyclohexyl]propan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
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| Structure |
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| Formula |
C32H45F3N4O7
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| Molecular Weight |
654.727
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCC(CC2)C(F)(F)F)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C32H45F3N4O7/c1-20(36-27(40)18-39-12-14-45-15-13-39)29(42)38-26(17-22-6-10-24(44-3)11-7-22)30(43)37-25(28(41)31(2)19-46-31)16-21-4-8-23(9-5-21)32(33,34)35/h6-7,10-11,20-21,23,25-26H,4-5,8-9,12-19H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t20-,21?,23?,25-,26-,31+/m0/s1
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| InChIKey |
SEXRELDEXBUNHY-WNLCDPGCSA-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