General Information of the Compound
| Compound ID |
CP0371816
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| Compound Name |
2-(2-benzhydryl-4-(5-chloro-2-methoxyphenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H20ClNO3S
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| Molecular Weight |
449.959
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| Canonical SMILES |
COc1ccc(Cl)cc1-c1nc(sc1CC(O)=O)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H20ClNO3S/c1-30-20-13-12-18(26)14-19(20)24-21(15-22(28)29)31-25(27-24)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,23H,15H2,1H3,(H,28,29)
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| InChIKey |
AIXRYCLEZGOJML-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