General Information of the Compound
| Compound ID |
CP0499776
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| Compound Name |
3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
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| Structure |
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| Formula |
C22H27F3N2O4
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| Molecular Weight |
440.462
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| Canonical SMILES |
COc1cc(OC)c(OC)cc1CNc1ccc(c(O[C@H]2CCN(C)C2)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H27F3N2O4/c1-27-8-7-16(13-27)31-19-10-15(5-6-17(19)22(23,24)25)26-12-14-9-20(29-3)21(30-4)11-18(14)28-2/h5-6,9-11,16,26H,7-8,12-13H2,1-4H3/t16-/m0/s1
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| InChIKey |
DTWIWPLNCJRJGN-INIZCTEOSA-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