General Information of the Compound
| Compound ID |
CP0372473
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| Compound Name |
2-tert-butyl-1-cyano-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylguanidine
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| Structure |
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| Formula |
C19H21N5O5S
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| Molecular Weight |
431.474
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(NC#N)=NC(C)(C)C)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H21N5O5S/c1-13-5-8-15(9-6-13)29-16-10-7-14(24(25)26)11-17(16)30(27,28)23-18(21-12-20)22-19(2,3)4/h5-11H,1-4H3,(H2,21,22,23)
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| InChIKey |
VZHIYZKNQGMTSP-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