General Information of the Compound
| Compound ID |
CP0457506
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| Compound Name |
N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C22H23BrN4O3S
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| Molecular Weight |
503.422
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| Canonical SMILES |
Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H23BrN4O3S/c23-18-8-9-21(24-16-18)26-12-14-27(15-13-26)22(28)10-11-25-31(29,30)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,25H,10-15H2
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| InChIKey |
JODZUVBSLHULSB-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