General Information of the Compound
| Compound ID |
CP0488940
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| Compound Name |
N-[[4-[5-amino-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C23H24F3N5O4S
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| Molecular Weight |
523.537
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| Canonical SMILES |
Nc1cc(nn1-c1ccc(cc1)C(F)(F)F)C1CCC(CNS(=O)(=O)c2ccccc2[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C23H24F3N5O4S/c24-23(25,26)17-9-11-18(12-10-17)30-22(27)13-19(29-30)16-7-5-15(6-8-16)14-28-36(34,35)21-4-2-1-3-20(21)31(32)33/h1-4,9-13,15-16,28H,5-8,14,27H2
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| InChIKey |
HOIBUKKWGSDTNG-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