General Information of the Compound
| Compound ID |
CP0316882
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| Compound Name |
3-(2-chloro-4-((5-isopropyl-3-phenethylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C30H28ClNO4
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| Molecular Weight |
502.01
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| Canonical SMILES |
CC(C)c1onc(CCc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C30H28ClNO4/c1-20(2)29-26(28(32-36-29)16-12-21-7-4-3-5-8-21)19-35-25-15-14-23(27(31)18-25)13-11-22-9-6-10-24(17-22)30(33)34/h3-11,13-15,17-18,20H,12,16,19H2,1-2H3,(H,33,34)/b13-11+
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| InChIKey |
OOFCMXPNXVXPEG-ACCUITESSA-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