General Information of the Compound
| Compound ID |
CP0522038
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| Compound Name |
N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]-3-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C19H23BrN4O4S
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| Molecular Weight |
483.388
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1
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| InChI |
InChI=1S/C19H23BrN4O4S/c1-28-16-3-2-4-17(13-16)29(26,27)22-8-7-19(25)24-11-9-23(10-12-24)18-6-5-15(20)14-21-18/h2-6,13-14,22H,7-12H2,1H3
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| InChIKey |
GXDOVIDNIHJLIZ-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