General Information of the Compound
| Compound ID |
CP0259429
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| Compound Name |
4-[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]cyclohexan-1-one
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| Structure |
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| Formula |
C20H18N4OS2
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| Molecular Weight |
394.525
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| Canonical SMILES |
Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCC(=O)CC1
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| InChI |
InChI=1S/C20H18N4OS2/c1-11-9-26-20(22-11)18-17(13-4-7-15-16(8-13)27-10-21-15)23-19(24-18)12-2-5-14(25)6-3-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24)
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| InChIKey |
DEVWVVPHKNDTLI-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