General Information of the Compound
| Compound ID |
CP0568971
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| Compound Name |
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide
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| Structure |
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| Formula |
C20H11BrClN3O4
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| Molecular Weight |
472.682
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br
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| InChI |
InChI=1S/C20H11BrClN3O4/c21-15-4-2-1-3-13(15)20-24-17-9-11(5-8-18(17)29-20)23-19(26)14-10-12(25(27)28)6-7-16(14)22/h1-10H,(H,23,26)
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| InChIKey |
HFZZOFWNFNPCTR-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