General Information of the Compound
| Compound ID |
CP0374434
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-methylpyridazin-3-yl)methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C19H21ClF2N4O
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| Molecular Weight |
394.853
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nn1
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| InChI |
InChI=1S/C19H21ClF2N4O/c1-13-2-4-15(25-24-13)11-23-12-19(22)6-8-26(9-7-19)18(27)14-3-5-17(21)16(20)10-14/h2-5,10,23H,6-9,11-12H2,1H3
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| InChIKey |
UDSFREKDDUDKDN-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