General Information of the Compound
| Compound ID |
CP0280641
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| Compound Name |
3-(2-chloro-4-((3-(hydroxymethyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C23H22ClNO5
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| Molecular Weight |
427.884
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| Canonical SMILES |
CC(C)c1onc(CO)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C23H22ClNO5/c1-14(2)22-19(21(12-26)25-30-22)13-29-18-9-8-16(20(24)11-18)7-6-15-4-3-5-17(10-15)23(27)28/h3-11,14,26H,12-13H2,1-2H3,(H,27,28)/b7-6+
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| InChIKey |
IYVVOGUZUDWKBQ-VOTSOKGWSA-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