General Information of the Compound
| Compound ID |
CP0476388
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| Compound Name |
(2S)-N-[(2S)-3-(4,4-difluorocyclohexyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
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| Structure |
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| Formula |
C31H44F2N4O7
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| Molecular Weight |
622.71
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCC(F)(F)CC2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C31H44F2N4O7/c1-20(34-26(38)18-37-12-14-43-15-13-37)28(40)36-25(17-21-4-6-23(42-3)7-5-21)29(41)35-24(27(39)30(2)19-44-30)16-22-8-10-31(32,33)11-9-22/h4-7,20,22,24-25H,8-19H2,1-3H3,(H,34,38)(H,35,41)(H,36,40)/t20-,24-,25-,30+/m0/s1
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| InChIKey |
RDIAOLJWQRRYIC-NHPFZIKMSA-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