General Information of the Compound
| Compound ID |
CP0459656
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| Compound Name |
3-[[(2S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-2-yl]methoxy]benzonitrile
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| Structure |
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| Formula |
C20H21ClN2O3
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| Molecular Weight |
372.852
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| Canonical SMILES |
COc1ccc(CN2CCO[C@H](COc3cccc(c3)C#N)C2)cc1Cl
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| InChI |
InChI=1S/C20H21ClN2O3/c1-24-20-6-5-16(10-19(20)21)12-23-7-8-25-18(13-23)14-26-17-4-2-3-15(9-17)11-22/h2-6,9-10,18H,7-8,12-14H2,1H3/t18-/m0/s1
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| InChIKey |
AVHARTJXRNCLOS-SFHVURJKSA-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