General Information of the Compound
| Compound ID |
CP0552529
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| Compound Name |
5-chloro-2-fluoro-4-[[(1R,6R)-2-(4-fluorophenyl)-6-(methylamino)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C23H23Cl2F2N3O3S2
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| Molecular Weight |
562.491
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| Canonical SMILES |
Cl.CN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H22ClF2N3O3S2.ClH/c1-27-20-4-2-3-16(14-5-7-15(25)8-6-14)17(20)11-32-21-10-19(26)22(9-18(21)24)34(30,31)29-23-12-33-13-28-23;/h3,5-10,12-13,17,20,27,29H,2,4,11H2,1H3;1H/t17-,20-;/m1./s1
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| InChIKey |
CERSITJKEBNMGH-OGPPPPIKSA-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