General Information of the Compound
| Compound ID |
CP0489827
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| Compound Name |
6-[2-[4-[[3-(2-methoxyethoxy)-4-propan-2-ylphenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C29H39NO4
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| Molecular Weight |
465.634
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| Canonical SMILES |
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1C(C)C
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| InChI |
InChI=1S/C29H39NO4/c1-21(2)25-6-4-24(20-29(25)34-17-16-32-3)18-23-9-13-30(14-10-23)12-8-22-5-7-28-26(19-22)27(31)11-15-33-28/h4-7,19-21,23H,8-18H2,1-3H3
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| InChIKey |
NCUDDTNIVQDLQO-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