General Information of the Compound
| Compound ID |
CP0228935
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| Compound Name |
4-bromo-2-methyl-5-[[(3S,5S)-1-methyl-5-phenylpiperidin-3-yl]amino]pyridazin-3-one
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| Structure |
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| Formula |
C17H21BrN4O
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| Molecular Weight |
377.286
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| Canonical SMILES |
CN1C[C@H](C[C@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
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| InChI |
InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m1/s1
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| InChIKey |
VZAFGXCWAWRULT-KGLIPLIRSA-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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