General Information of the Compound
| Compound ID |
CP0058057
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| Compound Name |
2-(4-chloro-6-(4-phenoxyphenylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C28H20ClN3O3S
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| Molecular Weight |
514.006
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H20ClN3O3S/c29-24-17-25(30-19-13-15-21(16-14-19)35-20-9-2-1-3-10-20)32-28(31-24)36-26(27(33)34)23-12-6-8-18-7-4-5-11-22(18)23/h1-17,26H,(H,33,34)(H,30,31,32)
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| InChIKey |
XCZCQCJVOKNAGM-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