General Information of the Compound
| Compound ID |
CP0176666
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| Compound Name |
4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
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| Structure |
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| Formula |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
COc1ccc(nn1)-c1cccc(c1)-c1ccn(Cc2csc(C)n2)n1
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| InChI |
InChI=1S/C19H17N5OS/c1-13-20-16(12-26-13)11-24-9-8-18(23-24)15-5-3-4-14(10-15)17-6-7-19(25-2)22-21-17/h3-10,12H,11H2,1-2H3
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| InChIKey |
TZUCVRWXCDWJFH-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