General Information of the Compound
| Compound ID |
CP0467267
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| Compound Name |
3-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-5-fluorobenzoic acid
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| Structure |
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| Formula |
C27H24FNO4
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| Molecular Weight |
445.49
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| Canonical SMILES |
OC(=O)c1cc(F)cc(c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
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| InChI |
InChI=1S/C27H24FNO4/c28-22-12-19(11-20(13-22)27(31)32)18-5-3-4-17(10-18)16-33-24-8-9-25-21(14-24)15-29(26(25)30)23-6-1-2-7-23/h3-5,8-14,23H,1-2,6-7,15-16H2,(H,31,32)
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| InChIKey |
JHBVDFXAWLGDRG-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