General Information of the Compound
| Compound ID |
CP0125701
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| Compound Name |
4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C29H23F4N3O2S
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| Molecular Weight |
553.581
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| Canonical SMILES |
CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H23F4N3O2S/c1-2-16-35(23-6-4-3-5-7-23)39(37,38)25-13-14-26(27(18-25)29(31,32)33)20-8-15-28-21(17-20)19-34-36(28)24-11-9-22(30)10-12-24/h3-15,17-19H,2,16H2,1H3
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| InChIKey |
JWWJEENUMHZSBN-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