General Information of the Compound
| Compound ID |
CP0530808
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| Compound Name |
(R)-7-chloro-3-(3,5-dimethylphenyl)-6-(4-fluorophenyl)-4-(2-(piperidin-2-yl)ethoxy)quinolin-2(1H)-one
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| Structure |
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| Formula |
C30H30ClFN2O2
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| Molecular Weight |
505.033
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1c(OCC[C@H]2CCCCN2)c2cc(c(Cl)cc2[nH]c1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H30ClFN2O2/c1-18-13-19(2)15-21(14-18)28-29(36-12-10-23-5-3-4-11-33-23)25-16-24(20-6-8-22(32)9-7-20)26(31)17-27(25)34-30(28)35/h6-9,13-17,23,33H,3-5,10-12H2,1-2H3,(H,34,35)/t23-/m1/s1
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| InChIKey |
HYLHWMBYNMHMIZ-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