General Information of the Compound
| Compound ID |
CP0402229
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| Compound Name |
N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C20H20ClFN4O
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| Molecular Weight |
386.858
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1
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| InChI |
InChI=1S/C20H20ClFN4O/c21-14-8-18-20(26-12-25-18)19(9-14)27-7-6-23-5-1-2-13-11-24-17-4-3-15(22)10-16(13)17/h3-4,8-12,23-24H,1-2,5-7H2,(H,25,26)
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| InChIKey |
WHXNJTORMHZUJH-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter