General Information of the Compound
| Compound ID |
CP0880926
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| Compound Name |
N-(4-chloro-2-isonicotinoylphenyl)-4-(pyrrolidin-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C22H20ClN3O3S
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| Molecular Weight |
441.94
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| Canonical SMILES |
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2)cc1
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| InChI |
InChI=1S/C22H20ClN3O3S/c23-17-3-8-21(20(15-17)22(27)16-9-11-24-12-10-16)25-30(28,29)19-6-4-18(5-7-19)26-13-1-2-14-26/h3-12,15,25H,1-2,13-14H2
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| InChIKey |
MNBUDSSLSRYWHX-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