General Information of the Compound
| Compound ID |
CP0528333
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(1H-imidazol-5-ylmethylamino)benzamide
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| Structure |
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1NCc1cnc[nH]1
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| InChI |
InChI=1S/C24H27N5O3/c30-24(20-3-1-2-4-21(20)26-13-19-12-25-15-27-19)28-18-7-9-29(10-8-18)14-17-5-6-22-23(11-17)32-16-31-22/h1-6,11-12,15,18,26H,7-10,13-14,16H2,(H,25,27)(H,28,30)
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| InChIKey |
ZQLPWMOMHXDEQE-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