General Information of the Compound
| Compound ID |
CP0477259
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| Compound Name |
CHEMBL4550864
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| Formula |
C30H43N3O7
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| Molecular Weight |
557.688
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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](CC2CCC2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C30H43N3O7/c1-18(31-28(37)21-9-11-22(34)12-10-21)27(36)33-25(16-20-7-13-23(39-3)14-8-20)29(38)32-24(15-19-5-4-6-19)26(35)30(2)17-40-30/h7-8,13-14,18-19,21-22,24-25,34H,4-6,9-12,15-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/t18-,21-,22-,24+,25+,30-/m1/s1
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| InChIKey |
VYPOZQXGEZGSAJ-MPEFJUCNSA-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: PT02585, Proteasome subunit beta type-5
Protein ID: PT03791, Proteasome subunit beta type-5
Protein ID: PT03168, Proteasome subunit beta type-8
Protein ID: PT04765, Proteasome subunit beta type-8