General Information of the Compound
| Compound ID |
CP0387565
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| Compound Name |
6-[2-[4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C26H32BrNO4
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| Molecular Weight |
502.449
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| Canonical SMILES |
COCCOc1cc(Br)cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)c1
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| InChI |
InChI=1S/C26H32BrNO4/c1-30-12-13-31-23-16-21(15-22(27)18-23)14-20-5-9-28(10-6-20)8-4-19-2-3-26-24(17-19)25(29)7-11-32-26/h2-3,15-18,20H,4-14H2,1H3
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| InChIKey |
TZYPRPMOIFPFPT-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