General Information of the Compound
| Compound ID |
CP0086565
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| Compound Name |
CHEMBL4441524
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| Formula |
C31H43N3O7
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| Molecular Weight |
569.699
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C31H43N3O7/c1-19(32-29(38)22-10-12-23(35)13-11-22)28(37)34-26(17-21-8-14-24(40-3)15-9-21)30(39)33-25(16-20-6-4-5-7-20)27(36)31(2)18-41-31/h6,8-9,14-15,19,22-23,25-26,35H,4-5,7,10-13,16-18H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)/t19-,22-,23-,25+,26+,31-/m1/s1
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| InChIKey |
ONVNUBAXWAHVEF-WNVKXBHVSA-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: PT03496, Proteasome subunit beta type-10
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT03791, Proteasome subunit beta type-5
Protein ID: PT02585, Proteasome subunit beta type-5
Protein ID: PT03168, Proteasome subunit beta type-8
Protein ID: PT04765, Proteasome subunit beta type-8
Protein ID: PT03838, Proteasome subunit beta type-9
Protein ID: PT06624, Proteasome subunit beta type-9