General Information of the Compound
| Compound ID |
CP0495203
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(3-propan-2-yloxypropylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H33ClN4O4
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| Molecular Weight |
489.016
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| Canonical SMILES |
CC(C)OCCCNc1ncc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C25H33ClN4O4/c1-17(2)32-11-3-8-27-24-21(13-19(26)14-28-24)25(31)29-20-6-9-30(10-7-20)15-18-4-5-22-23(12-18)34-16-33-22/h4-5,12-14,17,20H,3,6-11,15-16H2,1-2H3,(H,27,28)(H,29,31)
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| InChIKey |
SCUVURVRWNDOGH-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