General Information of the Compound
| Compound ID |
CP0565132
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| Compound Name |
3-chloro-2-(2-chloroethoxy)-5-[2-[4-[(4-methyl-2-methylsulfanyl-1,3-oxazol-5-yl)methoxy]phenyl]propan-2-yl]benzonitrile
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| Structure |
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| Formula |
C24H24Cl2N2O3S
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| Molecular Weight |
491.44
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| Canonical SMILES |
CSc1nc(C)c(COc2ccc(cc2)C(C)(C)c2cc(Cl)c(OCCCl)c(c2)C#N)o1
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| InChI |
InChI=1S/C24H24Cl2N2O3S/c1-15-21(31-23(28-15)32-4)14-30-19-7-5-17(6-8-19)24(2,3)18-11-16(13-27)22(20(26)12-18)29-10-9-25/h5-8,11-12H,9-10,14H2,1-4H3
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| InChIKey |
HPDVKFBBNOPEBU-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