General Information of the Compound
| Compound ID |
CP0689611
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(2-fluoro-4-methoxylphenyl)prop-2-en-1amine Hydrochloride
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| Structure |
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| Formula |
C21H25ClFNO2
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| Molecular Weight |
377.887
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| Canonical SMILES |
COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)c(F)c1.Cl
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| InChI |
InChI=1S/C21H24FNO2.ClH/c1-23(11-3-5-17-9-10-19(24-2)14-20(17)22)15-16-7-8-18-6-4-12-25-21(18)13-16;/h3,5,7-10,13-14H,4,6,11-12,15H2,1-2H3;1H/b5-3+;
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| InChIKey |
ZGMNGBIILRCHBE-WGCWOXMQSA-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