General Information of the Compound
| Compound ID |
CP0212293
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| Compound Name |
methyl 2-[4-[[[1-(3,3,3-trifluoropropanoylamino)cyclobutanecarbonyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C23H23F3N2O4
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| Molecular Weight |
448.441
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCC2)NC(=O)CC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H23F3N2O4/c1-32-20(30)18-6-3-2-5-17(18)16-9-7-15(8-10-16)14-27-21(31)22(11-4-12-22)28-19(29)13-23(24,25)26/h2-3,5-10H,4,11-14H2,1H3,(H,27,31)(H,28,29)
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| InChIKey |
VBYMLLYILIUSCD-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