General Information of the Compound
| Compound ID |
CP0458856
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| Compound Name |
2-[4-chloro-6-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C21H21Cl3N4O2S2
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| Molecular Weight |
531.918
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)n1)C(O)=O
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| InChI |
InChI=1S/C21H21Cl3N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(24)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(22)14(23)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)
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| InChIKey |
YNDQRNMLFMGURO-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