General Information of the Compound
| Compound ID |
CP0305802
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| Compound Name |
3-(2-chloro-4-((5-isopropyl-3-((naphthalen-2-yloxy)methyl)isoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C33H28ClNO5
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| Molecular Weight |
554.042
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| Canonical SMILES |
CC(C)c1onc(COc2ccc3ccccc3c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C33H28ClNO5/c1-21(2)32-29(31(35-40-32)20-39-27-14-12-23-7-3-4-8-25(23)17-27)19-38-28-15-13-24(30(34)18-28)11-10-22-6-5-9-26(16-22)33(36)37/h3-18,21H,19-20H2,1-2H3,(H,36,37)/b11-10+
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| InChIKey |
CLZDIWSEPUKLDL-ZHACJKMWSA-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