General Information of the Compound
| Compound ID |
CP0404271
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| Compound Name |
(2R,4R)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoyl]-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C23H22N2O5S
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| Molecular Weight |
438.505
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| Canonical SMILES |
COc1ccccc1[C@H]1SC[C@H](N1C(=O)c1ccc(cc1)-c1c(C)noc1C)C(O)=O
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| InChI |
InChI=1S/C23H22N2O5S/c1-13-20(14(2)30-24-13)15-8-10-16(11-9-15)21(26)25-18(23(27)28)12-31-22(25)17-6-4-5-7-19(17)29-3/h4-11,18,22H,12H2,1-3H3,(H,27,28)/t18-,22+/m0/s1
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| InChIKey |
KPRSLSKWHAJENP-PGRDOPGGSA-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