General Information of the Compound
| Compound ID |
CP0006619
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((2′-phenoxy-[1,1′-biphenyl]-3-yl)oxy)propan-2-ol
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| Structure |
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| Formula |
C30H29NO3
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| Molecular Weight |
451.566
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccccc1Oc1ccccc1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H29NO3/c32-26(21-31-18-17-23-9-4-5-10-25(23)20-31)22-33-28-14-8-11-24(19-28)29-15-6-7-16-30(29)34-27-12-2-1-3-13-27/h1-16,19,26,32H,17-18,20-22H2
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| InChIKey |
QSCJJTIFVDAGLK-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