General Information of the Compound
| Compound ID |
CP0218346
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| Compound Name |
2-(4-chloro-6-(4-isopropylphenylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C25H22ClN3O2S
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| Molecular Weight |
463.99
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| Canonical SMILES |
CC(C)c1ccc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)cc1
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| InChI |
InChI=1S/C25H22ClN3O2S/c1-15(2)16-10-12-18(13-11-16)27-22-14-21(26)28-25(29-22)32-23(24(30)31)20-9-5-7-17-6-3-4-8-19(17)20/h3-15,23H,1-2H3,(H,30,31)(H,27,28,29)
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| InChIKey |
GSSLNYXQADSUHX-UHFFFAOYSA-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