General Information of the Compound
| Compound ID |
CP0167963
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| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(6-nitroindol-1-yl)propanamide
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| Structure |
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| Formula |
C20H15F3N4O4
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| Molecular Weight |
432.358
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| Canonical SMILES |
C[C@](O)(Cn1ccc2ccc(cc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F3N4O4/c1-19(29,11-26-7-6-12-3-5-15(27(30)31)9-17(12)26)18(28)25-14-4-2-13(10-24)16(8-14)20(21,22)23/h2-9,29H,11H2,1H3,(H,25,28)/t19-/m0/s1
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| InChIKey |
UREUFLLGLJADCO-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