General Information of the Compound
| Compound ID |
CP0509058
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| Compound Name |
(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine
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| Structure |
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| Formula |
C19H22ClNO3
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| Molecular Weight |
347.842
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| Canonical SMILES |
COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl
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| InChI |
InChI=1S/C19H22ClNO3/c1-22-19-11-15(7-8-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1
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| InChIKey |
VAARALHTIMJCFU-KRWDZBQOSA-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