General Information of the Compound
| Compound ID |
CP0420642
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| Compound Name |
4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidine
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| Structure |
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| Formula |
C25H31BrClNO3
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| Molecular Weight |
508.884
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| Canonical SMILES |
CC(C)Oc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
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| InChI |
InChI=1S/C25H31BrClNO3/c1-17(2)31-21-3-4-22(26)20(14-21)13-18-5-8-28(9-6-18)10-7-19-15-24-25(16-23(19)27)30-12-11-29-24/h3-4,14-18H,5-13H2,1-2H3
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| InChIKey |
SBUGQNDLQATQQL-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