General Information of the Compound
| Compound ID |
CP0003874
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| Compound Name |
1-(3-(benzo[d][1,3]dioxol-5-yl)phenoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2OCOc2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H25NO4/c27-22(15-26-11-10-18-4-1-2-5-21(18)14-26)16-28-23-7-3-6-19(12-23)20-8-9-24-25(13-20)30-17-29-24/h1-9,12-13,22,27H,10-11,14-17H2
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| InChIKey |
BTGKIVTXNZUPCZ-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