General Information of the Compound
| Compound ID |
CP0573126
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
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| Structure |
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| Formula |
C20H22N2O5
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| Molecular Weight |
370.405
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| Canonical SMILES |
Oc1cc(O)cc(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C20H22N2O5/c23-16-8-14(9-17(24)10-16)20(25)21-15-3-5-22(6-4-15)11-13-1-2-18-19(7-13)27-12-26-18/h1-2,7-10,15,23-24H,3-6,11-12H2,(H,21,25)
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| InChIKey |
GJHVNBSVGLNZAG-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