General Information of the Compound
| Compound ID |
CP0480538
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| Compound Name |
[4-[[[6-(azetidin-1-yl)pyridin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone
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| Structure |
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| Formula |
C22H25Cl2FN4O
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| Molecular Weight |
451.373
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| Canonical SMILES |
FC1(CNCc2cccc(n2)N2CCC2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H25Cl2FN4O/c23-18-6-5-16(13-19(18)24)21(30)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(27-17)28-9-2-10-28/h1,3-6,13,26H,2,7-12,14-15H2
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| InChIKey |
SEEAACXFQOFBJU-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