General Information of the Compound
| Compound ID |
CP0164700
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| Compound Name |
2-(4-chloro-6-(isopentylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C21H22ClN3O2S
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| Molecular Weight |
415.946
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| Canonical SMILES |
CC(C)CCNc1cc(Cl)nc(SC(C(O)=O)c2cccc3ccccc23)n1
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| InChI |
InChI=1S/C21H22ClN3O2S/c1-13(2)10-11-23-18-12-17(22)24-21(25-18)28-19(20(26)27)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13,19H,10-11H2,1-2H3,(H,26,27)(H,23,24,25)
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| InChIKey |
COUZGLSEBNURHL-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