General Information of the Compound
| Compound ID |
CP0575098
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| Compound Name |
2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C21H16ClN3O5S
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| Molecular Weight |
457.895
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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| InChI |
InChI=1S/C21H16ClN3O5S/c1-2-13-3-5-14(6-4-13)21-23-18-11-15(7-10-19(18)30-21)24-31(28,29)20-12-16(25(26)27)8-9-17(20)22/h3-12,24H,2H2,1H3
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| InChIKey |
BZZJAVJGFQVBLK-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