General Information of the Compound
| Compound ID |
CP0165972
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| Compound Name |
N-butyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C30H25F4N3O2S
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| Molecular Weight |
567.608
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| Canonical SMILES |
CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H25F4N3O2S/c1-2-3-17-36(24-7-5-4-6-8-24)40(38,39)26-14-15-27(28(19-26)30(32,33)34)21-9-16-29-22(18-21)20-35-37(29)25-12-10-23(31)11-13-25/h4-16,18-20H,2-3,17H2,1H3
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| InChIKey |
HREMNIGLVBCLQV-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