General Information of the Compound
| Compound ID |
CP0167960
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| Compound Name |
(2S)-3-(5-cyanopyrrolo[3,2-b]pyridin-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C20H14F3N5O2
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| Molecular Weight |
413.359
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| Canonical SMILES |
C[C@](O)(Cn1ccc2nc(ccc12)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F3N5O2/c1-19(30,11-28-7-6-16-17(28)5-4-14(10-25)26-16)18(29)27-13-3-2-12(9-24)15(8-13)20(21,22)23/h2-8,30H,11H2,1H3,(H,27,29)/t19-/m0/s1
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| InChIKey |
JPKQFENARBTZDY-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