General Information of the Compound
| Compound ID |
CP0408275
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| Compound Name |
4-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]pentoxy]-6-phenylpyrimidine
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| Structure |
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| Formula |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C27H34N4O2/c1-2-32-26-14-8-7-13-25(26)31-18-16-30(17-19-31)15-9-4-10-20-33-27-21-24(28-22-29-27)23-11-5-3-6-12-23/h3,5-8,11-14,21-22H,2,4,9-10,15-20H2,1H3
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| InChIKey |
ONVWCQMGUMBDFG-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: PT00941, 5-hydroxytryptamine receptor 7