General Information of the Compound
| Compound ID |
CP0520513
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| Compound Name |
3-[1-(3-chloro-4-fluorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
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| Structure |
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| Formula |
C17H19ClFN3O2S
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| Molecular Weight |
383.876
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| Canonical SMILES |
CNCCCN1Cc2ccccc2N(c2ccc(F)c(Cl)c2)S1(=O)=O
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| InChI |
InChI=1S/C17H19ClFN3O2S/c1-20-9-4-10-21-12-13-5-2-3-6-17(13)22(25(21,23)24)14-7-8-16(19)15(18)11-14/h2-3,5-8,11,20H,4,9-10,12H2,1H3
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| InChIKey |
AOJOZQNALFJCNW-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