General Information of the Compound
| Compound ID |
CP0106405
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| Compound Name |
N-[1-[(5-ethoxy-6-methoxypyridin-3-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C21H26N4O3
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| Molecular Weight |
382.464
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cnc1OC
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| InChI |
InChI=1S/C21H26N4O3/c1-3-27-19-12-15(13-22-20(19)26-2)14-25-10-8-16(9-11-25)23-21-24-17-6-4-5-7-18(17)28-21/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,23,24)
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| InChIKey |
DHMZIVVRKKMROM-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