General Information of the Compound
| Compound ID |
CP0514273
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-2-(oxolan-3-ylmethylamino)benzamide
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| Structure |
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| Formula |
C26H33N3O5
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| Molecular Weight |
467.566
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| Canonical SMILES |
COc1ccc(NCC2CCOC2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C26H33N3O5/c1-31-21-3-4-23(27-14-19-8-11-32-16-19)22(13-21)26(30)28-20-6-9-29(10-7-20)15-18-2-5-24-25(12-18)34-17-33-24/h2-5,12-13,19-20,27H,6-11,14-17H2,1H3,(H,28,30)
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| InChIKey |
MZEFPTGQCBVZSL-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