General Information of the Compound
| Compound ID |
CP0428848
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| Compound Name |
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H22N6O3S2
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| Molecular Weight |
458.569
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| Canonical SMILES |
O=C(C1CCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C20H22N6O3S2/c27-20(25-12-10-24(11-13-25)16-4-7-21-8-5-16)15-6-9-26(14-15)31(28,29)18-3-1-2-17-19(18)23-30-22-17/h1-5,7-8,15H,6,9-14H2
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| InChIKey |
HEZRSHOUECQBJY-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