General Information of the Compound
| Compound ID |
CP0446012
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| Compound Name |
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide
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| Structure |
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| Formula |
C23H20ClFN2O2
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| Molecular Weight |
410.876
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| Canonical SMILES |
C[C@@H](N([C@@H](C(N)=O)c1ccccc1)C(=O)c1ccccc1)c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C23H20ClFN2O2/c1-15(18-12-19(24)14-20(25)13-18)27(23(29)17-10-6-3-7-11-17)21(22(26)28)16-8-4-2-5-9-16/h2-15,21H,1H3,(H2,26,28)/t15-,21-/m1/s1
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| InChIKey |
OQQSVQAAPGCJFY-QVKFZJNVSA-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