General Information of the Compound
| Compound ID |
CP0578454
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| Compound Name |
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenyl)acetamide
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| Structure |
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| Formula |
C21H14Cl2N2O2
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| Molecular Weight |
397.261
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| Canonical SMILES |
Clc1cccc(CC(=O)Nc2cccc(c2)-c2nc3cc(Cl)ccc3o2)c1
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| InChI |
InChI=1S/C21H14Cl2N2O2/c22-15-5-1-3-13(9-15)10-20(26)24-17-6-2-4-14(11-17)21-25-18-12-16(23)7-8-19(18)27-21/h1-9,11-12H,10H2,(H,24,26)
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| InChIKey |
DXPRSEWRZAJVJK-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