General Information of the Compound
| Compound ID |
CP0420041
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| Compound Name |
CHEMBL4581001
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| Formula |
C39H52N6O5
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| Molecular Weight |
684.882
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C39H52N6O5/c1-26(35(46)39(2)25-50-39)41-36(47)32(22-27-12-6-3-7-13-27)42-37(48)33(23-29-18-20-31(21-19-29)30-16-10-5-11-17-30)43-38(49)34(44-45-40)24-28-14-8-4-9-15-28/h3-4,6-9,12-15,26,29-34H,5,10-11,16-25H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)/t26-,29-,31-,32-,33-,34-,39+/m0/s1
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| InChIKey |
PLWFGVRFZQSLKE-NKXOHJQVSA-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