General Information of the Compound
| Compound ID |
CP0318931
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| Compound Name |
[(2S)-1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl] 4-[(2,2,2-trifluoroacetyl)amino]benzoate
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| Structure |
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| Formula |
C16H15F3N4O6
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| Molecular Weight |
416.312
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| Canonical SMILES |
COC[C@H](Cn1ccnc1[N+]([O-])=O)OC(=O)c1ccc(NC(=O)C(F)(F)F)cc1
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| InChI |
InChI=1S/C16H15F3N4O6/c1-28-9-12(8-22-7-6-20-15(22)23(26)27)29-13(24)10-2-4-11(5-3-10)21-14(25)16(17,18)19/h2-7,12H,8-9H2,1H3,(H,21,25)/t12-/m0/s1
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| InChIKey |
JGCODPNHLJNTMW-LBPRGKRZSA-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