General Information of the Compound
| Compound ID |
CP0445867
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| Compound Name |
N-[(4-cyanophenyl)methyl]-3-[2-[4-(2-phenylpyridin-3-yl)piperazin-1-yl]ethoxy]propanamide
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
O=C(CCOCCN1CCN(CC1)c1cccnc1-c1ccccc1)NCc1ccc(cc1)C#N
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| InChI |
InChI=1S/C28H31N5O2/c29-21-23-8-10-24(11-9-23)22-31-27(34)12-19-35-20-18-32-14-16-33(17-15-32)26-7-4-13-30-28(26)25-5-2-1-3-6-25/h1-11,13H,12,14-20,22H2,(H,31,34)
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| InChIKey |
QOWZCKYSXVTLKA-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