General Information of the Compound
| Compound ID |
CP0546295
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| Compound Name |
1-(2-(2-(4-(dipropylamino)-3-methylisoquinolin-1-yl)-3,5-dimethylphenoxy)ethyl)piperidin-3-ol
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| Structure |
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| Formula |
C31H43N3O2
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| Molecular Weight |
489.704
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC(O)C2)c2ccccc12
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| InChI |
InChI=1S/C31H43N3O2/c1-6-14-34(15-7-2)31-24(5)32-30(26-12-8-9-13-27(26)31)29-23(4)19-22(3)20-28(29)36-18-17-33-16-10-11-25(35)21-33/h8-9,12-13,19-20,25,35H,6-7,10-11,14-18,21H2,1-5H3
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| InChIKey |
LATWYLCTZRFXDK-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