General Information of the Compound
| Compound ID |
CP0429974
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| Compound Name |
2-[(2S,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetic acid
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| Structure |
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| Formula |
C21H19F6NO4
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| Molecular Weight |
463.374
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| Canonical SMILES |
OC(=O)CN1CCO[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C21H19F6NO4/c22-20(23,24)15-8-13(9-16(10-15)21(25,26)27)12-32-19-18(14-4-2-1-3-5-14)28(6-7-31-19)11-17(29)30/h1-5,8-10,18-19H,6-7,11-12H2,(H,29,30)/t18-,19+/m0/s1
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| InChIKey |
LEMUQYVGNWVOOC-RBUKOAKNSA-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