General Information of the Compound
| Compound ID |
CP0507070
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| Compound Name |
N-[(4-cyanophenyl)methyl]-3-[2-[4-(2-phenylphenyl)piperazin-1-yl]ethoxy]propanamide
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
O=C(CCOCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H32N4O2/c30-22-24-10-12-25(13-11-24)23-31-29(34)14-20-35-21-19-32-15-17-33(18-16-32)28-9-5-4-8-27(28)26-6-2-1-3-7-26/h1-13H,14-21,23H2,(H,31,34)
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| InChIKey |
BXKULJBQDCCBKR-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