General Information of the Compound
| Compound ID |
CP0408066
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(2-propan-2-yloxyethylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H31ClN4O4
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| Molecular Weight |
474.989
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| Canonical SMILES |
CC(C)OCCNc1ncc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C24H31ClN4O4/c1-16(2)31-10-7-26-23-20(12-18(25)13-27-23)24(30)28-19-5-8-29(9-6-19)14-17-3-4-21-22(11-17)33-15-32-21/h3-4,11-13,16,19H,5-10,14-15H2,1-2H3,(H,26,27)(H,28,30)
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| InChIKey |
RWCFUFFRGAMLIQ-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