General Information of the Compound
| Compound ID |
CP0553273
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| Compound Name |
3-chloro-2-(2-chloroethoxy)-5-[2-[4-[(2-propan-2-ylsulfonyl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-yl]benzonitrile
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| Structure |
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| Formula |
C25H26Cl2N2O5S
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| Molecular Weight |
537.465
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| Canonical SMILES |
CC(C)S(=O)(=O)c1nc(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)co1
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| InChI |
InChI=1S/C25H26Cl2N2O5S/c1-16(2)35(30,31)24-29-20(15-34-24)14-33-21-7-5-18(6-8-21)25(3,4)19-11-17(13-28)23(22(27)12-19)32-10-9-26/h5-8,11-12,15-16H,9-10,14H2,1-4H3
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| InChIKey |
XAYICTYGIGSQMC-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