General Information of the Compound
| Compound ID |
CP0527221
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| Compound Name |
N-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-oxopropyl]-7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
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| Structure |
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| Formula |
C18H18BrFN6O4S
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| Molecular Weight |
513.349
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| Canonical SMILES |
Fc1ccc(c2nonc12)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1
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| InChI |
InChI=1S/C18H18BrFN6O4S/c19-12-1-4-15(21-11-12)25-7-9-26(10-8-25)16(27)5-6-22-31(28,29)14-3-2-13(20)17-18(14)24-30-23-17/h1-4,11,22H,5-10H2
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| InChIKey |
ZLWGFCLTBXCLKR-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