General Information of the Compound
| Compound ID |
CP0006304
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(quinolin-3-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 |
OC(COc1cccc(c1)-c1cnc2ccccc2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C27H26N2O2/c30-25(18-29-13-12-20-6-1-2-8-23(20)17-29)19-31-26-10-5-9-21(15-26)24-14-22-7-3-4-11-27(22)28-16-24/h1-11,14-16,25,30H,12-13,17-19H2
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| InChIKey |
QSDHTODUGJZFTK-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