General Information of the Compound
| Compound ID |
CP0338181
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| Compound Name |
N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C18H19BrN6O3S2
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| Molecular Weight |
511.427
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| Canonical SMILES |
Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
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| InChI |
InChI=1S/C18H19BrN6O3S2/c19-13-4-5-16(20-12-13)24-8-10-25(11-9-24)17(26)6-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-5,12,21H,6-11H2
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| InChIKey |
GBJYHIBFADAEKX-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