General Information of the Compound
| Compound ID |
CP0439792
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| Compound Name |
4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-amide] 5-[((R)-1-phenyl-ethyl)-amide]
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| Structure |
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| Formula |
C35H36ClN3O3
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| Molecular Weight |
582.144
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
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| InChI |
InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/m1/s1
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| InChIKey |
BKWNRLGMNHZAMD-UMJMCJBLSA-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: PT01020, Beta-secretase 1
Protein ID: PT01134, Beta-secretase 2