General Information of the Compound
| Compound ID |
CP0403175
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| Compound Name |
CHEMBL4454809
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| Formula |
C32H41N3O7
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| Molecular Weight |
579.694
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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](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C32H41N3O7/c1-20(33-30(39)23-11-13-24(36)14-12-23)29(38)35-27(18-22-9-15-25(41-3)16-10-22)31(40)34-26(28(37)32(2)19-42-32)17-21-7-5-4-6-8-21/h4-10,15-16,20,23-24,26-27,36H,11-14,17-19H2,1-3H3,(H,33,39)(H,34,40)(H,35,38)/t20-,23-,24-,26+,27+,32-/m1/s1
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| InChIKey |
DMAYUUDCUFRNPK-JTRPPKJJSA-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