General Information of the Compound
| Compound ID |
CP0082478
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| Compound Name |
N-[(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)methyl]-3,4,5-trifluoroaniline
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| Structure |
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| Formula |
C17H15Cl2F3N2O3S
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| Molecular Weight |
455.285
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| Canonical SMILES |
Fc1cc(NCc2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
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| InChI |
InChI=1S/C17H15Cl2F3N2O3S/c18-12-8-13(19)16(28(25,26)24-1-3-27-4-2-24)5-10(12)9-23-11-6-14(20)17(22)15(21)7-11/h5-8,23H,1-4,9H2
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| InChIKey |
USADNLWLQFJOOY-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