General Information of the Compound
| Compound ID |
CP0388218
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| Compound Name |
4-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-6-N-[(1R)-1-phenylethyl]-1-benzofuran-4,6-dicarboxamide
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| Structure |
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| Formula |
C32H35N3O4
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| Molecular Weight |
525.649
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1
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| InChI |
InChI=1S/C32H35N3O4/c1-20-15-26-27(17-24(18-30(26)39-20)31(37)34-21(2)23-11-7-4-8-12-23)32(38)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1
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| InChIKey |
RYLYLEZYSLPXSS-SPTGULJVSA-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