General Information of the Compound
| Compound ID |
CP0552304
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| Compound Name |
(2R)-1-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-3-pyrazin-2-yloxypropan-2-ol
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| Structure |
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cnccn2)CC1
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| InChI |
InChI=1S/C24H28N4O3/c1-30-21-8-6-19(7-9-21)22-4-2-3-5-23(22)28-14-12-27(13-15-28)17-20(29)18-31-24-16-25-10-11-26-24/h2-11,16,20,29H,12-15,17-18H2,1H3/t20-/m1/s1
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| InChIKey |
ATGGHACHMARXLW-HXUWFJFHSA-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