General Information of the Compound
| Compound ID |
CP0498734
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| Compound Name |
2-[[(3S,4S)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C20H22ClFN4
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| Molecular Weight |
372.875
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| Canonical SMILES |
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(Cl)cc1F
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| InChI |
InChI=1S/C20H22ClFN4/c1-13-11-26(9-7-15(13)16-6-5-14(21)10-17(16)22)12-19-24-20-18(25(19)2)4-3-8-23-20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m1/s1
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| InChIKey |
HUDWYYYFRVUKIA-HIFRSBDPSA-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