General Information of the Compound
| Compound ID |
CP0062186
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| Compound Name |
2-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one
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| Structure |
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| Formula |
C25H24FN3O2
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| Molecular Weight |
417.484
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
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| InChI |
InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
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| InChIKey |
SPBXLWNNWOLJEO-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C