General Information of the Compound
| Compound ID |
CP0557491
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| Compound Name |
2-[4-chloro-6-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C25H25ClN4O2S2
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| Molecular Weight |
513.088
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2cccc3ccccc23)n1)C(O)=O
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| InChI |
InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-13-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,14-15,20H,2-5,13H2,1H3,(H,31,32)(H,27,28,29,30)
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| InChIKey |
VNMVPMVXDBGNOH-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