General Information of the Compound
| Compound ID |
CP0054317
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| Compound Name |
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide
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| Structure |
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| Formula |
C23H24FN5OS
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| Molecular Weight |
437.544
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| Canonical SMILES |
CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30)
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| InChIKey |
MATZYFFMBFOOKH-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