General Information of the Compound
| Compound ID |
CP0421816
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| Compound Name |
1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1
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| InChI |
InChI=1S/C22H28N2O3/c1-25-20-10-6-5-9-19(20)24-13-11-23(12-14-24)17-21-22(27-16-15-26-21)18-7-3-2-4-8-18/h2-10,21-22H,11-17H2,1H3/t21-,22+/m1/s1
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| InChIKey |
GWNABLDNNOYTMC-YADHBBJMSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor