General Information of the Compound
| Compound ID |
CP0326742
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| Compound Name |
5-chloro-4-(1,4-dioxaspiro[4.5]decan-7-ylmethylamino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H21ClFN3O4S2
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| Molecular Weight |
461.968
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| Canonical SMILES |
Fc1cc(NCC2CCCC3(C2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C18H21ClFN3O4S2/c19-13-8-16(29(24,25)23-17-21-4-7-28-17)14(20)9-15(13)22-11-12-2-1-3-18(10-12)26-5-6-27-18/h4,7-9,12,22H,1-3,5-6,10-11H2,(H,21,23)
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| InChIKey |
KMTIXSIYMVUSCD-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