General Information of the Compound
| Compound ID |
CP0497330
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| Compound Name |
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenylphthalazine-1,4-dione
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C28H30N4O3/c1-35-26-15-8-7-14-25(26)30-20-18-29(19-21-30)16-9-17-31-27(33)23-12-5-6-13-24(23)28(34)32(31)22-10-3-2-4-11-22/h2-8,10-15H,9,16-21H2,1H3
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| InChIKey |
HAOITGOWYBTNMV-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