General Information of the Compound
| Compound ID |
CP0578035
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| Compound Name |
(2S)-1-[5-[2-(difluoromethyl)pyridin-4-yl]-3-methylpyridin-2-yl]oxy-2,4-dimethylpentan-2-amine
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| Structure |
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| Formula |
C19H25F2N3O
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| Molecular Weight |
349.425
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| Canonical SMILES |
CC(C)C[C@](C)(N)COc1ncc(cc1C)-c1ccnc(c1)C(F)F
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| InChI |
InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-13(3)7-15(10-24-18)14-5-6-23-16(8-14)17(20)21/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
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| InChIKey |
XNDCZOZTMJFJKQ-IBGZPJMESA-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