General Information of the Compound
| Compound ID |
CP0455539
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| Compound Name |
(2S)-N-[(2S)-3-(2-bicyclo[2.2.1]heptanyl)-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 |
C32H46N4O7
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| Molecular Weight |
598.741
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CC3CCC2C3)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C32H46N4O7/c1-20(33-28(37)18-36-10-12-42-13-11-36)30(39)35-27(16-21-5-8-25(41-3)9-6-21)31(40)34-26(29(38)32(2)19-43-32)17-24-15-22-4-7-23(24)14-22/h5-6,8-9,20,22-24,26-27H,4,7,10-19H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)/t20-,22?,23?,24?,26-,27-,32+/m0/s1
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| InChIKey |
LEJUWPRYOVXUQM-UNLRJKNPSA-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