General Information of the Compound
| Compound ID |
CP0524125
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| Compound Name |
1-(5H-Dibenzo[a,d]cyclohepten-5-yl)-2-(3,5-dimethyl-benzyloxy)-ethylamine
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| Structure |
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| Formula |
C26H27NO
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| Molecular Weight |
369.508
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| Canonical SMILES |
Cc1cc(C)cc(COCC(N)C2c3ccccc3C=Cc3ccccc23)c1
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| InChI |
InChI=1S/C26H27NO/c1-18-13-19(2)15-20(14-18)16-28-17-25(27)26-23-9-5-3-7-21(23)11-12-22-8-4-6-10-24(22)26/h3-15,25-26H,16-17,27H2,1-2H3
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| InChIKey |
MVLDBDSDAOAUMM-UHFFFAOYSA-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