General Information of the Compound
| Compound ID |
CP0371815
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| Compound Name |
2-(4-(4-chlorophenyl)-2-((4-methoxyphenyl)(pyridin-2-yl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C24H19ClN2O3S
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| Molecular Weight |
450.947
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| Canonical SMILES |
COc1ccc(cc1)C(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccn1
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| InChI |
InChI=1S/C24H19ClN2O3S/c1-30-18-11-7-15(8-12-18)22(19-4-2-3-13-26-19)24-27-23(20(31-24)14-21(28)29)16-5-9-17(25)10-6-16/h2-13,22H,14H2,1H3,(H,28,29)
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| InChIKey |
VQLQSPXLCMPBHR-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