General Information of the Compound
| Compound ID |
CP0270496
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| Compound Name |
5-chloro-2-fluoro-4-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H21ClFN3O3S2
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| Molecular Weight |
482.002
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| Canonical SMILES |
Fc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H21ClFN3O3S2/c22-16-11-19(31(27,28)26-21-24-8-10-30-21)17(23)12-18(16)25-13-15-7-4-9-29-20(15)14-5-2-1-3-6-14/h1-3,5-6,8,10-12,15,20,25H,4,7,9,13H2,(H,24,26)/t15-,20-/m1/s1
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| InChIKey |
ILRYYTDUGVPGAN-FOIQADDNSA-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