General Information of the Compound
| Compound ID |
CP0570984
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| Compound Name |
3-(1-benzylpiperidin-4-yl)-1-[4-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]propan-1-one
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| Structure |
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| Formula |
C37H45FN4O
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| Molecular Weight |
580.792
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C37H45FN4O/c38-33-12-15-36-35(26-33)32(27-39-36)8-4-5-19-40-22-24-42(25-23-40)34-13-10-31(11-14-34)37(43)16-9-29-17-20-41(21-18-29)28-30-6-2-1-3-7-30/h1-3,6-7,10-15,26-27,29,39H,4-5,8-9,16-25,28H2
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| InChIKey |
RPBDNTAOIMALLE-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