General Information of the Compound
| Compound ID |
CP0295753
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| Compound Name |
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide
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| Structure |
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| Formula |
C28H24FN3OS
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| Molecular Weight |
469.585
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1ccsc1
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| InChI |
InChI=1S/C28H24FN3OS/c1-28(2,27(33)31-23-14-15-34-18-23)26(19-6-4-3-5-7-19)20-8-13-25-21(16-20)17-30-32(25)24-11-9-22(29)10-12-24/h3-18,26H,1-2H3,(H,31,33)
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| InChIKey |
FTJPRVWUBOKWOC-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