General Information of the Compound
| Compound ID |
CP0439234
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| Compound Name |
N-[3-(1-benzylpiperidin-4-yl)-1H-indol-5-yl]-4-fluorobenzamide
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| Structure |
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| Formula |
C27H26FN3O
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| Molecular Weight |
427.523
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C27H26FN3O/c28-22-8-6-21(7-9-22)27(32)30-23-10-11-26-24(16-23)25(17-29-26)20-12-14-31(15-13-20)18-19-4-2-1-3-5-19/h1-11,16-17,20,29H,12-15,18H2,(H,30,32)
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| InChIKey |
VMTCHHSTQXKXRR-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D