General Information of the Compound
| Compound ID |
CP0485820
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-2-[(3-methylimidazol-4-yl)methylamino]benzamide
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| Structure |
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| Formula |
C26H31N5O4
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| Molecular Weight |
477.565
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| Canonical SMILES |
COc1ccc(NCc2cncn2C)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C26H31N5O4/c1-30-16-27-13-20(30)14-28-23-5-4-21(33-2)12-22(23)26(32)29-19-7-9-31(10-8-19)15-18-3-6-24-25(11-18)35-17-34-24/h3-6,11-13,16,19,28H,7-10,14-15,17H2,1-2H3,(H,29,32)
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| InChIKey |
WANRDDNBDWTNAM-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