General Information of the Compound
| Compound ID |
CP0228587
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| Compound Name |
4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenoxy)butanenitrile
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| Structure |
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| Formula |
C26H23ClN4O
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| Molecular Weight |
442.95
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| Canonical SMILES |
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
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| InChI |
InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30)
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| InChIKey |
CERJQPWNRISSQS-UHFFFAOYSA-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: PT01151, Amyloid-beta precursor protein
Protein ID: PT01020, Beta-secretase 1