General Information of the Compound
| Compound ID |
CP0281213
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| Compound Name |
1-(2-(4-phenylpiperazin-1-yl)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 |
C23H26N4O2
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| Molecular Weight |
390.487
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| Canonical SMILES |
O=C(CN1CCN(CC1)c1ccccc1)N1CCc2cccc3C(=O)NCC1c23
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| InChI |
InChI=1S/C23H26N4O2/c28-21(16-25-11-13-26(14-12-25)18-6-2-1-3-7-18)27-10-9-17-5-4-8-19-22(17)20(27)15-24-23(19)29/h1-8,20H,9-16H2,(H,24,29)
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| InChIKey |
ZBARAZMYBWKCDU-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