General Information of the Compound
| Compound ID |
CP0485520
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| Compound Name |
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-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)-c1ccsc1
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| InChI |
InChI=1S/C25H25F2N3S/c26-20-3-5-24-22(14-20)18(16-28-24)2-1-8-29-9-11-30(12-10-29)25-6-4-21(27)15-23(25)19-7-13-31-17-19/h3-7,13-17,28H,1-2,8-12H2
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| InChIKey |
XHQOFWMFUCKWSM-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