General Information of the Compound
| Compound ID |
CP0376281
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| Compound Name |
(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine
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| Structure |
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| Formula |
C19H21ClFNO3
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| Molecular Weight |
365.832
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| Canonical SMILES |
COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl
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| InChI |
InChI=1S/C19H21ClFNO3/c1-23-19-9-14(5-6-18(19)20)11-22-7-8-24-17(12-22)13-25-16-4-2-3-15(21)10-16/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m0/s1
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| InChIKey |
JUYWJQVJQQTCOE-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