General Information of the Compound
| Compound ID |
CP0446202
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| Compound Name |
5-fluoro-3-[3-[4-[3-fluoro-2-(3-fluorophenyl)phenyl]piperazin-1-yl]propyl]-1H-indole
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| Structure |
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| Formula |
C27H26F3N3
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| Molecular Weight |
449.52
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| Canonical SMILES |
Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
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| InChI |
InChI=1S/C27H26F3N3/c28-21-6-1-4-19(16-21)27-24(30)7-2-8-26(27)33-14-12-32(13-15-33)11-3-5-20-18-31-25-10-9-22(29)17-23(20)25/h1-2,4,6-10,16-18,31H,3,5,11-15H2
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| InChIKey |
AGEPEUMGWKSZKI-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