General Information of the Compound
| Compound ID |
CP0327634
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| Compound Name |
1-(2-Chroman-4-yl-ethyl)-4-(3,4-dimethoxy-phenyl)-piperidine
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| Structure |
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| Formula |
C24H31NO3
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| Molecular Weight |
381.516
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| Canonical SMILES |
COc1ccc(cc1OC)C1CCN(CCC2CCOc3ccccc23)CC1
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| InChI |
InChI=1S/C24H31NO3/c1-26-23-8-7-20(17-24(23)27-2)18-9-13-25(14-10-18)15-11-19-12-16-28-22-6-4-3-5-21(19)22/h3-8,17-19H,9-16H2,1-2H3
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| InChIKey |
UIZPEXQHMIZQPQ-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