General Information of the Compound
| Compound ID |
CP0542141
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| Compound Name |
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
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| Structure |
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| Formula |
C25H25F2N3S
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| Molecular Weight |
437.559
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| Canonical SMILES |
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cccs1
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| InChI |
InChI=1S/C25H25F2N3S/c26-19-5-7-23-21(15-19)18(17-28-23)3-1-9-29-10-12-30(13-11-29)24-8-6-20(27)16-22(24)25-4-2-14-31-25/h2,4-8,14-17,28H,1,3,9-13H2
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| InChIKey |
XXBQHKZSOYPBLD-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