General Information of the Compound
| Compound ID |
CP0844974
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| Compound Name |
2-tert-butyl-4,6-bis(4-(dimethylamino)phenyl)thiopyrylium iodide
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| Structure |
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| Formula |
C25H31IN2S
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| Molecular Weight |
518.508
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| Canonical SMILES |
CN(C)c1ccc(-c2cc(-c3ccc(N(C)C)cc3)[s+]c(C(C)(C)C)c2)cc1.[I-]
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| InChI |
InChI=1S/C25H31N2S.HI/c1-25(2,3)24-17-20(18-8-12-21(13-9-18)26(4)5)16-23(28-24)19-10-14-22(15-11-19)27(6)7;/h8-17H,1-7H3;1H/q+1;/p-1
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| InChIKey |
BSUVCJIQGAEYOX-UHFFFAOYSA-M
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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