General Information of the Compound
| Compound ID |
CP0057487
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| Compound Name |
2-(4-chloro-6-(3,5-di-tert-butylphenylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C30H32ClN3O2S
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| Molecular Weight |
534.125
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| Canonical SMILES |
CC(C)(C)c1cc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)cc(c1)C(C)(C)C
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| InChI |
InChI=1S/C30H32ClN3O2S/c1-29(2,3)19-14-20(30(4,5)6)16-21(15-19)32-25-17-24(31)33-28(34-25)37-26(27(35)36)23-13-9-11-18-10-7-8-12-22(18)23/h7-17,26H,1-6H3,(H,35,36)(H,32,33,34)
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| InChIKey |
VJGMLKIKOQLELQ-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