General Information of the Compound
| Compound ID |
CP0481001
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| Compound Name |
2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzenecarbothioamide
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| Structure |
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| Formula |
C17H15Cl2FN2O3S2
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| Molecular Weight |
449.356
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| Canonical SMILES |
Fc1cccc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1
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| InChI |
InChI=1S/C17H15Cl2FN2O3S2/c18-14-10-15(19)16(27(23,24)22-4-6-25-7-5-22)9-13(14)17(26)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,26)
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| InChIKey |
VKYUZKRWQMVUSB-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