General Information of the Compound
| Compound ID |
CP0522036
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| Compound Name |
N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]-5-methyl-2,1,3-benzoxadiazole-4-sulfonamide
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| Structure |
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| Formula |
C19H21BrN6O4S
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| Molecular Weight |
509.386
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| Canonical SMILES |
Cc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1
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| InChI |
InChI=1S/C19H21BrN6O4S/c1-13-2-4-15-18(24-30-23-15)19(13)31(28,29)22-7-6-17(27)26-10-8-25(9-11-26)16-5-3-14(20)12-21-16/h2-5,12,22H,6-11H2,1H3
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| InChIKey |
MFIUNGSRXHLPHL-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