General Information of the Compound
| Compound ID |
CP0426824
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| Compound Name |
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)aniline
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| Structure |
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| Formula |
C20H23F3N2O2
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| Molecular Weight |
380.41
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| Canonical SMILES |
COc1ccc(CNc2ccc(c(O[C@H]3CCN(C)C3)c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C20H23F3N2O2/c1-25-10-9-17(13-25)27-19-11-15(5-8-18(19)20(21,22)23)24-12-14-3-6-16(26-2)7-4-14/h3-8,11,17,24H,9-10,12-13H2,1-2H3/t17-/m0/s1
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| InChIKey |
XFKAKYFNZPOZED-KRWDZBQOSA-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