General Information of the Compound
| Compound ID |
CP0443637
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| Compound Name |
N-benzyl-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H19F7N2O2S
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| Molecular Weight |
568.514
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| Canonical SMILES |
Fc1ccccc1-c1ccncc1CN(Cc1ccccc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H19F7N2O2S/c28-25-9-5-4-8-24(25)23-10-11-35-15-19(23)17-36(16-18-6-2-1-3-7-18)39(37,38)22-13-20(26(29,30)31)12-21(14-22)27(32,33)34/h1-15H,16-17H2
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| InChIKey |
HDSZCGKGQKWNHY-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