General Information of the Compound
| Compound ID |
CP0495200
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(propan-2-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H27ClN4O3
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| Molecular Weight |
430.936
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| Canonical SMILES |
CC(C)Nc1ncc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C22H27ClN4O3/c1-14(2)25-21-18(10-16(23)11-24-21)22(28)26-17-5-7-27(8-6-17)12-15-3-4-19-20(9-15)30-13-29-19/h3-4,9-11,14,17H,5-8,12-13H2,1-2H3,(H,24,25)(H,26,28)
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| InChIKey |
CSOSFDAMUZPPKQ-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