General Information of the Compound
| Compound ID |
CP0877295
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| Compound Name |
5-(3-(4-(3-methoxyphenyl)piperazin-1-yl)propoxy)-4,7-dimethyl-2H-chromen-2-one
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
COc1cccc(N2CCN(CCCOc3cc(C)cc4oc(=O)cc(C)c34)CC2)c1
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| InChI |
InChI=1S/C25H30N2O4/c1-18-14-22(25-19(2)16-24(28)31-23(25)15-18)30-13-5-8-26-9-11-27(12-10-26)20-6-4-7-21(17-20)29-3/h4,6-7,14-17H,5,8-13H2,1-3H3
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| InChIKey |
PYELULZIYOSYPX-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