General Information of the Compound
| Compound ID |
CP0439203
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| Compound Name |
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one
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| Structure |
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C22H26N4O2/c1-28-21-10-5-4-9-20(21)25-15-13-24(14-16-25)11-6-12-26-17-23-19-8-3-2-7-18(19)22(26)27/h2-5,7-10,17H,6,11-16H2,1H3
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| InChIKey |
SAEHJLWUBHWWAI-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