General Information of the Compound
| Compound ID |
CP0548823
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| Compound Name |
5-chloro-4-[[(1R,6R)-6-(ethylamino)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methylsulfanyl]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C24H25Cl2F2N3O2S3
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| Molecular Weight |
592.586
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| Canonical SMILES |
Cl.CCN[C@@H]1CCC=C([C@H]1CSc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24ClF2N3O2S3.ClH/c1-2-28-21-5-3-4-17(15-6-8-16(26)9-7-15)18(21)12-34-22-11-20(27)23(10-19(22)25)35(31,32)30-24-13-33-14-29-24;/h4,6-11,13-14,18,21,28,30H,2-3,5,12H2,1H3;1H/t18-,21-;/m1./s1
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| InChIKey |
KFSLUEOPXMDSRM-IUFJOMBNSA-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