General Information of the Compound
| Compound ID |
CP0289702
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| Compound Name |
(S)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidin-2-ylthio)octanoic acid
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| Structure |
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| Formula |
C25H25ClN4O2S
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| Molecular Weight |
481.021
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| Canonical SMILES |
CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O
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| InChI |
InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m0/s1
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| InChIKey |
YDFXLGZNMAZWPZ-NRFANRHFSA-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