General Information of the Compound
| Compound ID |
CP0456888
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| Compound Name |
methyl 2-[4-[[[2-methyl-2-(3,3,3-trifluoropropanoylamino)propanoyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C22H23F3N2O4
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| Molecular Weight |
436.43
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNC(=O)C(C)(C)NC(=O)CC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H23F3N2O4/c1-21(2,27-18(28)12-22(23,24)25)20(30)26-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19(29)31-3/h4-11H,12-13H2,1-3H3,(H,26,30)(H,27,28)
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| InChIKey |
VXWUBIQOYBQHGZ-UHFFFAOYSA-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