General Information of the Compound
| Compound ID |
CP0502482
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(cyclohexylmethylamino)-5-methoxybenzamide
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| Structure |
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| Formula |
C28H37N3O4
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| Molecular Weight |
479.621
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| Canonical SMILES |
COc1ccc(NCC2CCCCC2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C28H37N3O4/c1-33-23-8-9-25(29-17-20-5-3-2-4-6-20)24(16-23)28(32)30-22-11-13-31(14-12-22)18-21-7-10-26-27(15-21)35-19-34-26/h7-10,15-16,20,22,29H,2-6,11-14,17-19H2,1H3,(H,30,32)
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| InChIKey |
FACXCSYTDSUMIQ-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