General Information of the Compound
| Compound ID |
CP0372106
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| Compound Name |
[4-[7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol
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| Structure |
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| Formula |
C31H33ClN2O2
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| Molecular Weight |
501.07
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(CO)cc1
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| InChI |
InChI=1S/C31H33ClN2O2/c1-20-13-21(2)15-24(14-20)28-18-34-30-17-29(32)26(23-8-6-22(19-35)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-33-25/h6-9,13-18,25,33,35H,3-5,10-12,19H2,1-2H3/t25-/m1/s1
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| InChIKey |
OWRSMOOCLOGSNK-RUZDIDTESA-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