General Information of the Compound
| Compound ID |
CP0859087
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| Compound Name |
4-(((trans)-4-(2-Methoxyethoxy)cyclohexyl)amino)-6-(thiazol-5-yl)quinolin-2(1H)-one
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
COCCO[C@H]1CC[C@H](Nc2cc(=O)[nH]c3ccc(-c4cncs4)cc23)CC1
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| InChI |
InChI=1S/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25)/t15-,16-
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| InChIKey |
HJCHDZGEJHNQGD-WKILWMFISA-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