General Information of the Compound
| Compound ID |
CP0394426
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| Compound Name |
7-[2-[benzyl(prop-2-ynyl)amino]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C27H23NO3
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| Molecular Weight |
409.485
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| Canonical SMILES |
O=c1cc(oc2cc(OCCN(CC#C)Cc3ccccc3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C27H23NO3/c1-2-15-28(20-21-9-5-3-6-10-21)16-17-30-23-13-14-24-25(29)19-26(31-27(24)18-23)22-11-7-4-8-12-22/h1,3-14,18-19H,15-17,20H2
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| InChIKey |
DQRIFZHWVSYDLG-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