General Information of the Compound
| Compound ID |
CP0567246
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| Compound Name |
5-chloro-4-[[(1R,6R)-6-(diethylamino)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C26H29Cl2F2N3O3S2
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| Molecular Weight |
604.572
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| Canonical SMILES |
Cl.CCN(CC)[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28ClF2N3O3S2.ClH/c1-3-32(4-2)23-7-5-6-19(17-8-10-18(28)11-9-17)20(23)14-35-24-13-22(29)25(12-21(24)27)37(33,34)31-26-15-36-16-30-26;/h6,8-13,15-16,20,23,31H,3-5,7,14H2,1-2H3;1H/t20-,23-;/m1./s1
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| InChIKey |
IAMPHBUUCWPPSX-KFWGXXPESA-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