General Information of the Compound
| Compound ID |
CP0270343
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| Compound Name |
N-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H31F3N2O4S
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| Molecular Weight |
500.583
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| Canonical SMILES |
CCCN(C1CCN(Cc2c(OC)cccc2OC)CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H31F3N2O4S/c1-4-13-29(34(30,31)20-8-5-7-18(16-20)24(25,26)27)19-11-14-28(15-12-19)17-21-22(32-2)9-6-10-23(21)33-3/h5-10,16,19H,4,11-15,17H2,1-3H3
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| InChIKey |
MIIPDAAENRAYGU-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