General Information of the Compound
| Compound ID |
CP0519961
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| Compound Name |
2-[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]piperidin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H21Cl2NO3
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| Molecular Weight |
394.298
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| Canonical SMILES |
OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C20H21Cl2NO3/c21-15-5-4-14(19(22)11-15)13-26-18-8-6-16(7-9-18)23-10-2-1-3-17(23)12-20(24)25/h4-9,11,17H,1-3,10,12-13H2,(H,24,25)
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| InChIKey |
WHKWBAZUOHKJMP-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