General Information of the Compound
| Compound ID |
CP0261910
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| Compound Name |
(S)-1-(2-(difluoromethyl)-4-(2-methylpyridin-4-yl)phenoxy)-2,4-dimethylpentan-2-amine
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| Structure |
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| Formula |
C20H26F2N2O
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| Molecular Weight |
348.437
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| Canonical SMILES |
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(C)c1
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| InChI |
InChI=1S/C20H26F2N2O/c1-13(2)11-20(4,23)12-25-18-6-5-15(10-17(18)19(21)22)16-7-8-24-14(3)9-16/h5-10,13,19H,11-12,23H2,1-4H3/t20-/m0/s1
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| InChIKey |
LLASSJMOZUBNPF-FQEVSTJZSA-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