General Information of the Compound
| Compound ID |
CP0466445
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| Compound Name |
2-[5-chloro-2-[(3-fluoro-4-methoxyphenyl)carbamoyl]phenyl]-5-(2,3-dihydro-1H-inden-5-ylcarbamoyl)benzoic acid
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| Structure |
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| Formula |
C31H24ClFN2O5
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| Molecular Weight |
558.993
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)Nc2ccc3CCCc3c2)cc1F
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| InChI |
InChI=1S/C31H24ClFN2O5/c1-40-28-12-9-22(16-27(28)33)35-30(37)24-11-7-20(32)15-25(24)23-10-6-19(14-26(23)31(38)39)29(36)34-21-8-5-17-3-2-4-18(17)13-21/h5-16H,2-4H2,1H3,(H,34,36)(H,35,37)(H,38,39)
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| InChIKey |
REUOLBHWZCESBK-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