General Information of the Compound
| Compound ID |
CP0495031
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-3-methoxybenzamide
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| Structure |
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| Formula |
C21H24N2O4
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| Molecular Weight |
368.433
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| Canonical SMILES |
COc1cccc(c1)C(=O)NC1CCCN(Cc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C21H24N2O4/c1-25-18-6-2-4-16(11-18)21(24)22-17-5-3-9-23(13-17)12-15-7-8-19-20(10-15)27-14-26-19/h2,4,6-8,10-11,17H,3,5,9,12-14H2,1H3,(H,22,24)
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| InChIKey |
QMDNVVIVCHVJDP-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