General Information of the Compound
| Compound ID |
CP0498067
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| Compound Name |
7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide
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| Structure |
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| Formula |
C32H37N3O4
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| Molecular Weight |
527.665
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
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| InChI |
InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1
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| InChIKey |
QVCPGZYJEIDVFT-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