General Information of the Compound
| Compound ID |
CP0960620
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| Compound Name |
N-(4-chloro-2-isonicotinoylphenyl)-4-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C24H22ClF3N4O3S
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| Molecular Weight |
538.979
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| Canonical SMILES |
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1
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| InChI |
InChI=1S/C24H22ClF3N4O3S/c25-18-1-6-22(21(15-18)23(33)17-7-9-29-10-8-17)30-36(34,35)20-4-2-19(3-5-20)32-13-11-31(12-14-32)16-24(26,27)28/h1-10,15,30H,11-14,16H2
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| InChIKey |
IOSUAWDFYFIXQF-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