General Information of the Compound
| Compound ID |
CP0412602
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| Compound Name |
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H24N6O3S2
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| Molecular Weight |
472.596
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| Canonical SMILES |
O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C21H24N6O3S2/c28-21(26-13-11-25(12-14-26)17-6-8-22-9-7-17)16-3-2-10-27(15-16)32(29,30)19-5-1-4-18-20(19)24-31-23-18/h1,4-9,16H,2-3,10-15H2
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| InChIKey |
JTAHVRVJBAFOQP-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