General Information of the Compound
| Compound ID |
CP0180713
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| Compound Name |
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
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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 |
CC(C)C(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C23H24FN5OS/c1-14(2)20(23(3,4)21(30)27-22-28-25-13-31-22)15-5-10-19-16(11-15)12-26-29(19)18-8-6-17(24)7-9-18/h5-14,20H,1-4H3,(H,27,28,30)
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| InChIKey |
BQKIGIFFBLCDGH-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