General Information of the Compound
| Compound ID |
CP0371998
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| Compound Name |
2-(2-benzhydryl-4-(4-methoxyphenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H21NO3S
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| Molecular Weight |
415.514
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(sc1CC(O)=O)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H21NO3S/c1-29-20-14-12-19(13-15-20)24-21(16-22(27)28)30-25(26-24)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,16H2,1H3,(H,27,28)
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| InChIKey |
GPPYWAGMOJZIGF-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