General Information of the Compound
| Compound ID |
CP0812569
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(4-formatemethylphenylprop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C22H26ClNO3
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| Molecular Weight |
387.907
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| Canonical SMILES |
COC(=O)c1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)cc1.Cl
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| InChI |
InChI=1S/C22H25NO3.ClH/c1-23(16-18-9-10-19-6-4-14-26-21(19)15-18)13-3-5-17-7-11-20(12-8-17)22(24)25-2;/h3,5,7-12,15H,4,6,13-14,16H2,1-2H3;1H/b5-3+;
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| InChIKey |
NDEPFJYRTMBJDR-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