General Information of the Compound
| Compound ID |
CP0499744
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| Compound Name |
(R)-7-chloro-3-(3,5-dimethylphenyl)-4-(2-(piperidin-2-yl)ethoxy)-N-(pyrimidin-4-yl)quinoline-6-carboxamide
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| Structure |
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| Formula |
C29H30ClN5O2
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| Molecular Weight |
516.045
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)C(=O)Nc1ccncn1
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| InChI |
InChI=1S/C29H30ClN5O2/c1-18-11-19(2)13-20(12-18)24-16-33-26-15-25(30)22(29(36)35-27-6-9-31-17-34-27)14-23(26)28(24)37-10-7-21-5-3-4-8-32-21/h6,9,11-17,21,32H,3-5,7-8,10H2,1-2H3,(H,31,34,35,36)/t21-/m1/s1
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| InChIKey |
BMJFEESLJOXGMQ-OAQYLSRUSA-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