General Information of the Compound
| Compound ID |
CP0011927
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| Compound Name |
1-(3-(dibenzo[b,d]furan-4-yl)phenoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C30H27NO3
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| Molecular Weight |
449.55
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| Canonical SMILES |
OC(COc1cccc(c1)-c1cccc2c1oc1ccccc21)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H27NO3/c32-24(19-31-16-15-21-7-1-2-8-23(21)18-31)20-33-25-10-5-9-22(17-25)26-12-6-13-28-27-11-3-4-14-29(27)34-30(26)28/h1-14,17,24,32H,15-16,18-20H2
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| InChIKey |
BTQXPNBTNKWTGB-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