General Information of the Compound
| Compound ID |
CP0426825
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| Compound Name |
N-[(2-bromophenyl)methyl]-3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)aniline
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| Structure |
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| Formula |
C19H20BrF3N2O
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| Molecular Weight |
429.28
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| Canonical SMILES |
CN1CC[C@@H](C1)Oc1cc(NCc2ccccc2Br)ccc1C(F)(F)F
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| InChI |
InChI=1S/C19H20BrF3N2O/c1-25-9-8-15(12-25)26-18-10-14(6-7-16(18)19(21,22)23)24-11-13-4-2-3-5-17(13)20/h2-7,10,15,24H,8-9,11-12H2,1H3/t15-/m0/s1
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| InChIKey |
KVPUYEWVBCFJKC-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