General Information of the Compound
| Compound ID |
CP0432148
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| Compound Name |
N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-nitrobenzamide
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| Structure |
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| Formula |
C20H14ClN5O3S2
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| Molecular Weight |
471.951
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| Canonical SMILES |
Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1-c1csc(Nc2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C20H14ClN5O3S2/c1-11-17(16-10-30-19(24-16)23-14-6-4-13(21)5-7-14)31-20(22-11)25-18(27)12-2-8-15(9-3-12)26(28)29/h2-10H,1H3,(H,23,24)(H,22,25,27)
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| InChIKey |
NTKNOBAIWAWICE-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