General Information of the Compound
| Compound ID |
CP0374167
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| Compound Name |
2-phenoxy-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
C(COc1ccccc1)NC[C@@H]1COC[C@@H](O1)c1ccccc1
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| InChI |
InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-21-14-18(23-19)13-20-11-12-22-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-/m1/s1
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| InChIKey |
ZUVHIOFWBBSJDZ-RTBURBONSA-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