General Information of the Compound
| Compound ID |
CP0397521
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| Compound Name |
1-[2-[(E)-2-[4-fluoro-2-[(2-fluorophenyl)methyl]phenyl]ethenoxy]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H25F2NO3
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| Molecular Weight |
401.453
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| Canonical SMILES |
OC(=O)C1CCCN(CCO\C=C\c2ccc(F)cc2Cc2ccccc2F)C1
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| InChI |
InChI=1S/C23H25F2NO3/c24-21-8-7-17(20(15-21)14-18-4-1-2-6-22(18)25)9-12-29-13-11-26-10-3-5-19(16-26)23(27)28/h1-2,4,6-9,12,15,19H,3,5,10-11,13-14,16H2,(H,27,28)/b12-9+
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| InChIKey |
KTUNXHGQFWELDZ-FMIVXFBMSA-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