General Information of the Compound
| Compound ID |
CP0073471
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C15H14F3N3O3
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| Molecular Weight |
341.289
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C15H14F3N3O3/c16-15(17,18)24-12-5-3-10(4-6-12)14(23)20-9-13(22)21-7-1-2-11(21)8-19/h3-6,11H,1-2,7,9H2,(H,20,23)/t11-/m0/s1
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| InChIKey |
HOTVTJAOELXOOP-NSHDSACASA-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