General Information of the Compound
| Compound ID |
CP0445148
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| Compound Name |
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)aniline
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| Structure |
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| Formula |
C21H24BrF3N2O3
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| Molecular Weight |
489.332
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| Canonical SMILES |
COc1cc(Br)c(CNc2ccc(c(O[C@H]3CCN(C)C3)c2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C21H24BrF3N2O3/c1-27-7-6-15(12-27)30-18-9-14(4-5-16(18)21(23,24)25)26-11-13-8-19(28-2)20(29-3)10-17(13)22/h4-5,8-10,15,26H,6-7,11-12H2,1-3H3/t15-/m0/s1
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| InChIKey |
SEYZORXZDBCUHS-HNNXBMFYSA-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