General Information of the Compound
| Compound ID |
CP0476385
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| Compound Name |
(2S)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
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| Structure |
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| Formula |
C30H44N4O7
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| Molecular Weight |
572.703
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](C2CCCCC2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C30H44N4O7/c1-20(31-25(35)18-34-13-15-40-16-14-34)28(37)32-24(17-21-9-11-23(39-3)12-10-21)29(38)33-26(22-7-5-4-6-8-22)27(36)30(2)19-41-30/h9-12,20,22,24,26H,4-8,13-19H2,1-3H3,(H,31,35)(H,32,37)(H,33,38)/t20-,24-,26-,30+/m0/s1
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| InChIKey |
HPDUMJMJUGLHJL-TVYSDHEISA-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