General Information of the Compound
| Compound ID |
CP0542919
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| Compound Name |
4-[5-[(E)-(3,4-dichlorophenyl)methoxyiminomethyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzonitrile
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| Structure |
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| Formula |
C20H12Cl2N4OS
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| Molecular Weight |
427.316
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| Canonical SMILES |
Clc1ccc(CO\N=C\c2c(nc3sccn23)-c2ccc(cc2)C#N)cc1Cl
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| InChI |
InChI=1S/C20H12Cl2N4OS/c21-16-6-3-14(9-17(16)22)12-27-24-11-18-19(25-20-26(18)7-8-28-20)15-4-1-13(10-23)2-5-15/h1-9,11H,12H2/b24-11+
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| InChIKey |
HAOPXYFUPPKWEG-BHGWPJFGSA-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