General Information of the Compound
| Compound ID |
CP0445710
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| Compound Name |
N-[(1R)-1-(4-cyanophenyl)ethyl]-6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@H](C)c2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C32H38N4O2/c1-25(27-13-11-26(24-33)12-14-27)34-32(37)10-4-3-7-19-35-20-22-36(23-21-35)31-9-6-5-8-30(31)28-15-17-29(38-2)18-16-28/h5-6,8-9,11-18,25H,3-4,7,10,19-23H2,1-2H3,(H,34,37)/t25-/m1/s1
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| InChIKey |
LPOLFZKIDWJURQ-RUZDIDTESA-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