General Information of the Compound
| Compound ID |
CP0934042
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C21H26ClNO
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| Molecular Weight |
343.898
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| Canonical SMILES |
Cc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)cc1.Cl
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| InChI |
InChI=1S/C21H25NO.ClH/c1-17-7-9-18(10-8-17)5-3-13-22(2)16-19-11-12-20-6-4-14-23-21(20)15-19;/h3,5,7-12,15H,4,6,13-14,16H2,1-2H3;1H/b5-3+;
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| InChIKey |
ITYUKROJWPVASH-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