General Information of the Compound
| Compound ID |
CP0567245
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| Compound Name |
5-chloro-2-fluoro-4-[[(1R,6R)-2-(4-fluorophenyl)-6-(propan-2-ylamino)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C25H27Cl2F2N3O3S2
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| Molecular Weight |
590.545
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| Canonical SMILES |
Cl.CC(C)N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26ClF2N3O3S2.ClH/c1-15(2)30-22-5-3-4-18(16-6-8-17(27)9-7-16)19(22)12-34-23-11-21(28)24(10-20(23)26)36(32,33)31-25-13-35-14-29-25;/h4,6-11,13-15,19,22,30-31H,3,5,12H2,1-2H3;1H/t19-,22-;/m1./s1
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| InChIKey |
IHSGWKDRCIPXKY-JENXBZAWSA-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