General Information of the Compound
| Compound ID |
CP0472870
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| Compound Name |
4-[[(1R,6R)-6-amino-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methylsulfanyl]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C22H21Cl2F2N3O2S3
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| Molecular Weight |
564.532
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| Canonical SMILES |
Cl.N[C@@H]1CCC=C([C@H]1CSc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H20ClF2N3O2S3.ClH/c23-17-8-21(33(29,30)28-22-11-31-12-27-22)18(25)9-20(17)32-10-16-15(2-1-3-19(16)26)13-4-6-14(24)7-5-13;/h2,4-9,11-12,16,19,28H,1,3,10,26H2;1H/t16-,19-;/m1./s1
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| InChIKey |
XTNHHVSNMDCACY-LJLRIERRSA-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