General Information of the Compound
| Compound ID |
CP0864720
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| Compound Name |
5-(5-Chloro-2-thienyl)-2-[({4-[4-fluorobenzyl)oxy]phenyl}acetyl)amino]indan-2-carboxylic acid
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| Structure |
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| Formula |
C29H23ClFNO4S
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| Molecular Weight |
536.024
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| Canonical SMILES |
O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)s3)cc2C1
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| InChI |
InChI=1S/C29H23ClFNO4S/c30-26-12-11-25(37-26)20-5-6-21-15-29(28(34)35,16-22(21)14-20)32-27(33)13-18-3-9-24(10-4-18)36-17-19-1-7-23(31)8-2-19/h1-12,14H,13,15-17H2,(H,32,33)(H,34,35)
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| InChIKey |
IRLJLIKWFVOFKG-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