General Information of the Compound
| Compound ID |
CP0218084
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| Compound Name |
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
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| Structure |
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| Formula |
C27H24FN5OS
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| Molecular Weight |
485.588
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| Canonical SMILES |
CC(C)(C(Cc1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C27H24FN5OS/c1-27(2,25(34)31-26-32-29-17-35-26)23(14-18-6-4-3-5-7-18)19-8-13-24-20(15-19)16-30-33(24)22-11-9-21(28)10-12-22/h3-13,15-17,23H,14H2,1-2H3,(H,31,32,34)
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| InChIKey |
UAAAEKOSZDTOCY-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