General Information of the Compound
| Compound ID |
CP0482909
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| Compound Name |
CHEMBL4522536
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| Formula |
C42H65N5O7
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| Molecular Weight |
752.01
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](C[C@H]1CC[C@@H](CC1)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C42H65N5O7/c1-28(2)23-34(44-37(48)26-47-19-21-53-22-20-47)40(51)46-36(25-31-15-17-33(18-16-31)32-13-9-6-10-14-32)41(52)45-35(24-30-11-7-5-8-12-30)39(50)43-29(3)38(49)42(4)27-54-42/h5,7-8,11-12,28-29,31-36H,6,9-10,13-27H2,1-4H3,(H,43,50)(H,44,48)(H,45,52)(H,46,51)/t29-,31-,33-,34-,35-,36-,42+/m0/s1
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| InChIKey |
MUNPGSOQSQLUNU-DJWYHCTHSA-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: PT02583, Proteasome subunit beta type-1
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT02585, Proteasome subunit beta type-5