General Information of the Compound
| Compound ID |
CP0578664
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| Compound Name |
(S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-(difluoromethyl)pyridin-4-yl)benzonitrile
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| Structure |
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| Formula |
C20H23F2N3O
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| Molecular Weight |
359.42
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| Canonical SMILES |
CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(c1)C(F)F
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| InChI |
InChI=1S/C20H23F2N3O/c1-13(2)10-20(3,24)12-26-18-5-4-14(8-16(18)11-23)15-6-7-25-17(9-15)19(21)22/h4-9,13,19H,10,12,24H2,1-3H3/t20-/m0/s1
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| InChIKey |
VWSITUXKTVTAKL-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