General Information of the Compound
| Compound ID |
CP0553524
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| Compound Name |
Sulindac analogue, 11
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| Structure |
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| Formula |
C26H21FO3
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| Molecular Weight |
400.449
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| Canonical SMILES |
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1cccc(OCc2ccccc2)c1
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| InChI |
InChI=1S/C26H21FO3/c1-17-23(22-11-10-20(27)14-25(22)24(17)15-26(28)29)13-19-8-5-9-21(12-19)30-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,28,29)/b23-13-
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| InChIKey |
ZGEZSQZWOXTZEK-QRVIBDJDSA-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