General Information of the Compound
| Compound ID |
CP0525723
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| Compound Name |
1-[2-[(Z)-2-[5-fluoro-2-(3-fluorobenzoyl)phenyl]ethenoxy]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H23F2NO4
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| Molecular Weight |
415.436
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| Canonical SMILES |
OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2C(=O)c2cccc(F)c2)C1
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| InChI |
InChI=1S/C23H23F2NO4/c24-19-5-1-3-17(14-19)22(27)21-7-6-20(25)13-16(21)8-11-30-12-10-26-9-2-4-18(15-26)23(28)29/h1,3,5-8,11,13-14,18H,2,4,9-10,12,15H2,(H,28,29)/b11-8-
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| InChIKey |
IWCMUJAARSRKPV-FLIBITNWSA-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