General Information of the Compound
| Compound ID |
CP0429185
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| Compound Name |
2-[4-chloro-6-[[4-(4-phenylphenyl)-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(cs2)-c2ccc(cc2)-c2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C27H27ClN4O2S2/c1-2-3-4-8-11-22(25(33)34)36-27-30-23(28)16-24(32-27)31-26-29-21(17-35-26)20-14-12-19(13-15-20)18-9-6-5-7-10-18/h5-7,9-10,12-17,22H,2-4,8,11H2,1H3,(H,33,34)(H,29,30,31,32)
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| InChIKey |
PFPOGVJUSRHQRU-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