General Information of the Compound
| Compound ID |
CP0478421
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| Compound Name |
5-chloro-2-fluoro-4-[(4-hydroxy-1-adamantyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H23ClFN3O3S2
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| Molecular Weight |
472.007
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| Canonical SMILES |
OC1C2CC3CC1CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2
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| InChI |
InChI=1S/C20H23ClFN3O3S2/c21-14-5-17(30(27,28)25-19-23-1-2-29-19)15(22)6-16(14)24-10-20-7-11-3-12(8-20)18(26)13(4-11)9-20/h1-2,5-6,11-13,18,24,26H,3-4,7-10H2,(H,23,25)
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| InChIKey |
LJAMVDAQMFBQJF-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