General Information of the Compound
| Compound ID |
CP0459527
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| Compound Name |
3-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-methoxy-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C30H35N3O4
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| Molecular Weight |
501.627
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| Canonical SMILES |
COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C30H35N3O4/c1-20(22-11-7-4-8-12-22)32-29(35)23-16-24(18-26(17-23)37-2)30(36)33-27(15-21-9-5-3-6-10-21)28(34)19-31-25-13-14-25/h3-12,16-18,20,25,27-28,31,34H,13-15,19H2,1-2H3,(H,32,35)(H,33,36)/t20-,27+,28-/m1/s1
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| InChIKey |
GKRKKPGYGQZJMG-JTOILGAVSA-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