General Information of the Compound
| Compound ID |
CP0451645
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| Compound Name |
3-{5-Amino-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-pyrazol-1-yl}-1-trifluoromethyl-pyrazin-1-ium
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| Structure |
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| Formula |
C21H18F3N6O3S+
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| Molecular Weight |
491.475
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1c[n+](ccn1)C(F)(F)F
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| InChI |
InChI=1S/C21H18F3N6O3S/c1-33-16-6-8-17(9-7-16)34(31,32)28-15-4-2-14(3-5-15)18-12-19(25)30(27-18)20-13-29(11-10-26-20)21(22,23)24/h2-13,28H,25H2,1H3/q+1
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| InChIKey |
TTWODKNGFIYTSD-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