General Information of the Compound
| Compound ID |
CP0525471
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| Compound Name |
2-[4-chloro-6-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C27H27ClN4O2S2
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| Molecular Weight |
539.126
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)
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| InChIKey |
QJZPYGUQBSNYNO-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