General Information of the Compound
| Compound ID |
CP0382644
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| Compound Name |
3-[2-[4-(2-phenylphenyl)piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
O=C(CCOCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
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| InChI |
InChI=1S/C27H32N4O2/c32-27(29-22-23-10-13-28-14-11-23)12-20-33-21-19-30-15-17-31(18-16-30)26-9-5-4-8-25(26)24-6-2-1-3-7-24/h1-11,13-14H,12,15-22H2,(H,29,32)
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| InChIKey |
MGBCSHBNZNTBPJ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor