General Information of the Compound
| Compound ID |
CP0075443
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| Compound Name |
6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
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| Structure |
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| Formula |
C27H28ClN3O
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| Molecular Weight |
445.994
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| Canonical SMILES |
CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
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| InChI |
InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)
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| InChIKey |
MFVREGCSTSILCV-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