General Information of the Compound
| Compound ID |
CP0353643
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| Compound Name |
7-[4-[ethyl(methyl)amino]butoxy]-3-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-4-one
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| Structure |
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| Formula |
C29H38N2O4
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| Molecular Weight |
478.633
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| Canonical SMILES |
CCN(C)CCCCOc1ccc2c(c1)occ(-c1ccc(OCCN3CCCCC3)cc1)c2=O
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| InChI |
InChI=1S/C29H38N2O4/c1-3-30(2)15-7-8-19-33-25-13-14-26-28(21-25)35-22-27(29(26)32)23-9-11-24(12-10-23)34-20-18-31-16-5-4-6-17-31/h9-14,21-22H,3-8,15-20H2,1-2H3
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| InChIKey |
IKMDZEDNWBNJNC-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