General Information of the Compound
| Compound ID |
CP0431915
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| Compound Name |
(2S)-N-[(2S)-3-(4-methoxycyclohexyl)-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 |
C32H48N4O8
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| Molecular Weight |
616.756
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| Canonical SMILES |
COC1CCC(C[C@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)[C@@]2(C)CO2)CC1
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| InChI |
InChI=1S/C32H48N4O8/c1-21(33-28(37)19-36-13-15-43-16-14-36)30(39)35-27(18-23-7-11-25(42-4)12-8-23)31(40)34-26(29(38)32(2)20-44-32)17-22-5-9-24(41-3)10-6-22/h7-8,11-12,21-22,24,26-27H,5-6,9-10,13-20H2,1-4H3,(H,33,37)(H,34,40)(H,35,39)/t21-,22?,24?,26-,27-,32+/m0/s1
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| InChIKey |
CAQXQOFNALISLW-CSTQJDNESA-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