General Information of the Compound
| Compound ID |
CP0135933
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| Compound Name |
1-(2-(4-(benzyloxy)phenyl)acetyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCc2cccc3C(=O)NCC1c23
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| InChI |
InChI=1S/C26H24N2O3/c29-24(15-18-9-11-21(12-10-18)31-17-19-5-2-1-3-6-19)28-14-13-20-7-4-8-22-25(20)23(28)16-27-26(22)30/h1-12,23H,13-17H2,(H,27,30)
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| InChIKey |
RBPSUSGZEBUPLW-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