General Information of the Compound
| Compound ID |
CP0293106
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| Compound Name |
6-((2-(2-chlorophenyl)-5-(4-(thiophen-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
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| Structure |
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| Formula |
C26H20ClN3OS
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| Molecular Weight |
457.986
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| Canonical SMILES |
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1
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| InChI |
InChI=1S/C26H20ClN3OS/c27-22-7-2-1-6-21(22)24-15-14-23(30(24)17-19-5-3-8-25(28)29-19)18-10-12-20(13-11-18)31-26-9-4-16-32-26/h1-16H,17H2,(H2,28,29)
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| InChIKey |
MORNXTSZIUZECM-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