General Information of the Compound
| Compound ID |
CP0543587
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| Compound Name |
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C20H11Cl2N3O4
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| Molecular Weight |
428.231
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H11Cl2N3O4/c21-12-3-1-2-11(8-12)20-24-17-9-13(4-7-18(17)29-20)23-19(26)15-10-14(25(27)28)5-6-16(15)22/h1-10H,(H,23,26)
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| InChIKey |
AYHACFSFXKCYBD-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