General Information of the Compound
| Compound ID |
CP0372102
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| Compound Name |
7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}-6-(pyridin-3-yl)quinoline
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| Structure |
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| Formula |
C29H30ClN3O
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| Molecular Weight |
472.032
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccnc1
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| InChI |
InChI=1S/C29H30ClN3O/c1-19-12-20(2)14-22(13-19)26-18-33-28-16-27(30)24(21-6-5-9-31-17-21)15-25(28)29(26)34-11-8-23-7-3-4-10-32-23/h5-6,9,12-18,23,32H,3-4,7-8,10-11H2,1-2H3/t23-/m1/s1
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| InChIKey |
RTMVSNWOSRCPQS-HSZRJFAPSA-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