General Information of the Compound
| Compound ID |
CP0577723
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| Compound Name |
3-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(2-pyrrolidin-1-ylethoxy)chromen-4-one
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| Structure |
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| Formula |
C28H34N2O4
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| Molecular Weight |
462.59
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| Canonical SMILES |
O=c1c(coc2cc(OCCN3CCCC3)ccc12)-c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H34N2O4/c31-28-25-11-10-24(33-19-17-30-14-4-5-15-30)20-27(25)34-21-26(28)22-6-8-23(9-7-22)32-18-16-29-12-2-1-3-13-29/h6-11,20-21H,1-5,12-19H2
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| InChIKey |
LKWBRFHBJPNBMM-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