General Information of the Compound
| Compound ID |
CP0903003
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| Compound Name |
4,7-dimethyl-5-{4-[4-(3-methoxyphenyl)piperazin-1-yl]butoxy}coumarin
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| Structure |
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| Formula |
C26H32N2O4
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| Molecular Weight |
436.552
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| Canonical SMILES |
COc1cccc(N2CCN(CCCCOc3cc(C)cc4oc(=O)cc(C)c34)CC2)c1
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| InChI |
InChI=1S/C26H32N2O4/c1-19-15-23(26-20(2)17-25(29)32-24(26)16-19)31-14-5-4-9-27-10-12-28(13-11-27)21-7-6-8-22(18-21)30-3/h6-8,15-18H,4-5,9-14H2,1-3H3
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| InChIKey |
SQHWESMMHFWLEC-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: PT00825, 5-hydroxytryptamine receptor 2A