General Information of the Compound
| Compound ID |
CP0541586
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C22H26N2O5
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| Molecular Weight |
398.459
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)NC1CCCN(Cc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C22H26N2O5/c1-26-18-9-16(10-19(11-18)27-2)22(25)23-17-4-3-7-24(13-17)12-15-5-6-20-21(8-15)29-14-28-20/h5-6,8-11,17H,3-4,7,12-14H2,1-2H3,(H,23,25)
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| InChIKey |
XLIPASJDQJMNCS-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