General Information of the Compound
| Compound ID |
CP0011716
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((3′-(hydroxymethyl)-[1,1′-biphenyl]-3-yl)oxy)propan-2-ol
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| Structure |
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| Formula |
C25H27NO3
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| Molecular Weight |
389.495
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| Canonical SMILES |
OCc1cccc(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C25H27NO3/c27-17-19-5-3-8-21(13-19)22-9-4-10-25(14-22)29-18-24(28)16-26-12-11-20-6-1-2-7-23(20)15-26/h1-10,13-14,24,27-28H,11-12,15-18H2
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| InChIKey |
CLOWIJOJEXRSDS-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