General Information of the Compound
| Compound ID |
CP0178810
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| Compound Name |
methyl 2-[4-[[[(2R)-2-(3,3,3-trifluoropropanoylamino)propanoyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C21H21F3N2O4
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| Molecular Weight |
422.403
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNC(=O)[C@@H](C)NC(=O)CC(F)(F)F)cc1
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| InChI |
InChI=1S/C21H21F3N2O4/c1-13(26-18(27)11-21(22,23)24)19(28)25-12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)20(29)30-2/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-/m1/s1
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| InChIKey |
FJRMPKGHJIYTNT-CYBMUJFWSA-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