General Information of the Compound
| Compound ID |
CP0877724
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| Compound Name |
2-tert-butyl-4-(2-(diethylcarbamoyl)phenyl)-6-(4-(dimethylamino)phenyl)thiopyrylium chloride
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| Structure |
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| Formula |
C28H35ClN2OS
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| Molecular Weight |
483.121
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| Canonical SMILES |
CCN(CC)C(=O)c1ccccc1-c1cc(-c2ccc(N(C)C)cc2)[s+]c(C(C)(C)C)c1.[Cl-]
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| InChI |
InChI=1S/C28H35N2OS.ClH/c1-8-30(9-2)27(31)24-13-11-10-12-23(24)21-18-25(32-26(19-21)28(3,4)5)20-14-16-22(17-15-20)29(6)7;/h10-19H,8-9H2,1-7H3;1H/q+1;/p-1
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| InChIKey |
PTDYHRXQGNLYGR-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