General Information of the Compound
| Compound ID |
CP0532815
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| Compound Name |
N-[2-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]-1,3-thiazol-5-yl]methanesulfonamide
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| Structure |
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| Formula |
C23H23Cl2N3O4S2
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| Molecular Weight |
540.494
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| Canonical SMILES |
CC(C)(c1ccc(OCc2ncc(NS(C)(=O)=O)s2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N
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| InChI |
InChI=1S/C23H23Cl2N3O4S2/c1-23(2,17-10-15(12-26)22(19(25)11-17)31-9-8-24)16-4-6-18(7-5-16)32-14-21-27-13-20(33-21)28-34(3,29)30/h4-7,10-11,13,28H,8-9,14H2,1-3H3
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| InChIKey |
NMNAGRQSAZXDRY-UHFFFAOYSA-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