General Information of the Compound
| Compound ID |
CP0161800
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| Compound Name |
5-chloro-2-fluoro-4-[(3-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 |
OC12CC3CC(C1)CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2
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| InChI |
InChI=1S/C20H23ClFN3O3S2/c21-14-4-17(30(27,28)25-18-23-1-2-29-18)15(22)5-16(14)24-11-19-6-12-3-13(7-19)9-20(26,8-12)10-19/h1-2,4-5,12-13,24,26H,3,6-11H2,(H,23,25)
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| InChIKey |
BWODMQAKKPEJGH-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