General Information of the Compound
| Compound ID |
CP0252579
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)quinoline-4-carboxamide
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| Structure |
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| Formula |
C18H15F3N4O3
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| Molecular Weight |
392.337
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| Canonical SMILES |
FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1
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| InChI |
InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
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| InChIKey |
VSNIZLIYSJARCU-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