General Information of the Compound
| Compound ID |
CP0453375
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| Compound Name |
2-[2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]ethoxy]acetic acid
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| Structure |
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| Formula |
C25H28F6N2O4
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| Molecular Weight |
534.497
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| Canonical SMILES |
OC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C25H28F6N2O4/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)33-8-6-32(7-9-33)10-11-36-17-23(34)35/h1-5,12-14,22H,6-11,15-17H2,(H,34,35)
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| InChIKey |
ZOXBUIMAXBOWFJ-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