General Information of the Compound
| Compound ID |
CP0454906
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| Compound Name |
4-fluoro-3-[(4-fluoro-1H-indol-3-yl)methyl]-1H-indole
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| Structure |
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| Formula |
C17H12F2N2
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| Molecular Weight |
282.293
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| Canonical SMILES |
Fc1cccc2[nH]cc(Cc3c[nH]c4cccc(F)c34)c12
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| InChI |
InChI=1S/C17H12F2N2/c18-12-3-1-5-14-16(12)10(8-20-14)7-11-9-21-15-6-2-4-13(19)17(11)15/h1-6,8-9,20-21H,7H2
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| InChIKey |
CBEURMZFFRNCJY-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04383, G-protein coupled receptor 84