General Information of the Compound
| Compound ID |
CP0014299
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| Compound Name |
(R)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(quinolin-8-yl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C27H26N2O2
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| Molecular Weight |
410.517
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| Canonical SMILES |
O[C@@H](COc1cccc(c1)-c1cccc2cccnc12)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C27H26N2O2/c30-24(18-29-15-13-20-6-1-2-7-23(20)17-29)19-31-25-11-3-9-22(16-25)26-12-4-8-21-10-5-14-28-27(21)26/h1-12,14,16,24,30H,13,15,17-19H2/t24-/m1/s1
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| InChIKey |
ARGAUQJHHDVCOA-XMMPIXPASA-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