General Information of the Compound
| Compound ID |
CP0468921
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| Compound Name |
3-[4-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperazin-1-yl]-1,2-benzothiazole
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| Structure |
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| Formula |
C21H21FN4S
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| Molecular Weight |
380.492
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3nsc4ccccc34)c2c1
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| InChI |
InChI=1S/C21H21FN4S/c22-16-5-6-19-18(13-16)15(14-23-19)7-8-25-9-11-26(12-10-25)21-17-3-1-2-4-20(17)27-24-21/h1-6,13-14,23H,7-12H2
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| InChIKey |
IQLAXZNATZKPMO-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: PT00941, 5-hydroxytryptamine receptor 7