General Information of the Compound
| Compound ID |
CP0572669
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| Compound Name |
(2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-3-(4-cyclohexylcyclohexyl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-methylbutanamide
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| Structure |
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| Formula |
C42H59N7O5
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| Molecular Weight |
741.978
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC1CCC(CC1)C1CCCCC1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C42H59N7O5/c1-27(2)37(41(53)45-34(38(50)42(3)26-54-42)22-30-18-20-33(21-19-30)32-12-8-5-9-13-32)47-39(51)35(23-29-14-16-31(25-43)17-15-29)46-40(52)36(48-49-44)24-28-10-6-4-7-11-28/h4,6-7,10-11,14-17,27,30,32-37H,5,8-9,12-13,18-26,43H2,1-3H3,(H,45,53)(H,46,52)(H,47,51)/t30?,33?,34-,35-,36-,37-,42+/m0/s1
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| InChIKey |
YPFSNJHDOODPSG-PURJCYOGSA-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