General Information of the Compound
| Compound ID |
CP0305803
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| Compound Name |
3-(2-chloro-4-((5-isopropyl-3-(3-phenylpropyl)isoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C31H30ClNO4
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| Molecular Weight |
516.037
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| Canonical SMILES |
CC(C)c1onc(CCCc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C31H30ClNO4/c1-21(2)30-27(29(33-37-30)13-7-10-22-8-4-3-5-9-22)20-36-26-17-16-24(28(32)19-26)15-14-23-11-6-12-25(18-23)31(34)35/h3-6,8-9,11-12,14-19,21H,7,10,13,20H2,1-2H3,(H,34,35)/b15-14+
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| InChIKey |
XXYLNCPQPFZEFG-CCEZHUSRSA-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