General Information of the Compound
| Compound ID |
CP0007265
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1,3-dimethyl-1H-indol-6-yl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
Cc1cn(C)c2cc(ccc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C28H30N2O2/c1-20-16-29(2)28-15-23(10-11-27(20)28)22-8-5-9-26(14-22)32-19-25(31)18-30-13-12-21-6-3-4-7-24(21)17-30/h3-11,14-16,25,31H,12-13,17-19H2,1-2H3
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| InChIKey |
PVXUEBUTUWUHMR-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