General Information of the Compound
| Compound ID |
CP0421305
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| Compound Name |
N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline
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| Structure |
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| Formula |
C22H17FN6S
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| Molecular Weight |
416.485
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| Canonical SMILES |
Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2nsnc2c1
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| InChI |
InChI=1S/C22H17FN6S/c1-13-4-2-7-18(25-13)22-21(14-8-9-17-19(10-14)29-30-28-17)26-20(27-22)12-24-16-6-3-5-15(23)11-16/h2-11,24H,12H2,1H3,(H,26,27)
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| InChIKey |
GFYMGKKOEOHJOB-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