General Information of the Compound
| Compound ID |
CP0567737
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| Compound Name |
4-[5-(4-benzylpiperazin-1-yl)pentoxy]-6-phenylpyrimidine
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| Structure |
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| Formula |
C26H32N4O
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| Molecular Weight |
416.569
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| Canonical SMILES |
C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H32N4O/c1-4-10-23(11-5-1)21-30-17-15-29(16-18-30)14-8-3-9-19-31-26-20-25(27-22-28-26)24-12-6-2-7-13-24/h1-2,4-7,10-13,20,22H,3,8-9,14-19,21H2
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| InChIKey |
VQBXXYGTDIPCFB-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