General Information of the Compound
| Compound ID |
CP0513637
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| Compound Name |
3-chloro-6-(2-ethoxypyrimidin-5-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]quinolin-4-amine
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| Structure |
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| Formula |
C23H20ClFN4O
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| Molecular Weight |
422.891
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| Canonical SMILES |
CCOc1ncc(cn1)-c1ccc2ncc(Cl)c(N[C@H](C)c3ccccc3F)c2c1
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| InChI |
InChI=1S/C23H20ClFN4O/c1-3-30-23-27-11-16(12-28-23)15-8-9-21-18(10-15)22(19(24)13-26-21)29-14(2)17-6-4-5-7-20(17)25/h4-14H,3H2,1-2H3,(H,26,29)/t14-/m1/s1
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| InChIKey |
ZEIYVSAQBQHHFU-CQSZACIVSA-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