General Information of the Compound
| Compound ID |
CP0530059
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| Compound Name |
5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
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| Structure |
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| Formula |
C27H26F2N2O
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| Molecular Weight |
432.514
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| Canonical SMILES |
Fc1ccc(OCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C27H26F2N2O/c28-21-6-8-26-24(17-21)25(18-30-26)20-10-12-31(13-11-20)14-15-32-27-9-7-22(29)16-23(27)19-4-2-1-3-5-19/h1-9,16-18,20,30H,10-15H2
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| InChIKey |
VVBNOHKTIYSUDZ-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