General Information of the Compound
| Compound ID |
CP0468475
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| Compound Name |
2-[(4-benzylpiperazin-1-yl)methyl]-3-(2-ethoxyphenyl)quinazolin-4-one
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
CCOc1ccccc1-n1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C28H30N4O2/c1-2-34-26-15-9-8-14-25(26)32-27(29-24-13-7-6-12-23(24)28(32)33)21-31-18-16-30(17-19-31)20-22-10-4-3-5-11-22/h3-15H,2,16-21H2,1H3
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| InChIKey |
AOQNJFJGVODSPQ-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