General Information of the Compound
| Compound ID |
CP0069417
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| Compound Name |
(E)-3-(4-methoxyphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
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| Structure |
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| Formula |
C23H30ClNO
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| Molecular Weight |
371.952
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| Canonical SMILES |
Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
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| InChI |
InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;
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| InChIKey |
MVDKAMNZUXHNQB-UHDJGPCESA-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