General Information of the Compound
| Compound ID |
CP0082479
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| Compound Name |
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3,4,5-trifluorophenyl)benzenecarbothioamide
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| Structure |
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| Formula |
C17H13Cl2F3N2O3S2
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| Molecular Weight |
485.336
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| Canonical SMILES |
Fc1cc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
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| InChI |
InChI=1S/C17H13Cl2F3N2O3S2/c18-11-8-12(19)15(29(25,26)24-1-3-27-4-2-24)7-10(11)17(28)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,28)
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| InChIKey |
JNHWCHLGCVXZJP-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