General Information of the Compound
| Compound ID |
CP0510440
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| Compound Name |
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylphthalazine-1,4-dione
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| Structure |
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| Formula |
C29H32N4O3
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| Molecular Weight |
484.6
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C29H32N4O3/c1-36-27-16-8-7-15-26(27)31-21-19-30(20-22-31)17-9-10-18-32-28(34)24-13-5-6-14-25(24)29(35)33(32)23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3
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| InChIKey |
SKHNQZNMIQHFQP-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