General Information of the Compound
| Compound ID |
CP0500445
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| Compound Name |
3-[2-[5-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]naphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C29H21F2NO3
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| Molecular Weight |
469.487
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| Canonical SMILES |
Cc1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)n1-c1cc(C(O)=O)c2ccccc2c1
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| InChI |
InChI=1S/C29H21F2NO3/c1-18-6-12-27(32(18)23-14-20-4-2-3-5-24(20)25(16-23)29(33)34)26-15-22(31)11-13-28(26)35-17-19-7-9-21(30)10-8-19/h2-16H,17H2,1H3,(H,33,34)
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| InChIKey |
JDXKCPNYXSQZMJ-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