General Information of the Compound
| Compound ID |
CP0498049
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| Compound Name |
4-(6-(4-butylphenyl)-7-fluoro-3-isopropyl-1H-indol-2-yl)-2-hydroxybenzoic acid
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| Structure |
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| Formula |
C28H28FNO3
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| Molecular Weight |
445.534
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| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2c(C(C)C)c([nH]c2c1F)-c1ccc(C(O)=O)c(O)c1
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| InChI |
InChI=1S/C28H28FNO3/c1-4-5-6-17-7-9-18(10-8-17)20-13-14-22-24(16(2)3)26(30-27(22)25(20)29)19-11-12-21(28(32)33)23(31)15-19/h7-16,30-31H,4-6H2,1-3H3,(H,32,33)
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| InChIKey |
AXCOYOPUGNEVTQ-UHFFFAOYSA-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