General Information of the Compound
| Compound ID |
CP0499745
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| Compound Name |
3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin-2-yl)ethoxy]quinolin-6-yl}benzamide
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| Structure |
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| Formula |
C31H32ClN3O2
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| Molecular Weight |
514.069
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C31H32ClN3O2/c1-19-13-20(2)15-23(14-19)27-18-35-29-17-28(32)25(21-6-8-22(9-7-21)31(33)36)16-26(29)30(27)37-12-10-24-5-3-4-11-34-24/h6-9,13-18,24,34H,3-5,10-12H2,1-2H3,(H2,33,36)/t24-/m1/s1
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| InChIKey |
YCXJWROMAAKJOE-XMMPIXPASA-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