General Information of the Compound
| Compound ID |
CP0470040
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| Compound Name |
3-(2-phenylmethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
O=c1n(c(CN2CCNCC2)nc2ccccc12)-c1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C26H26N4O2/c31-26-21-10-4-5-11-22(21)28-25(18-29-16-14-27-15-17-29)30(26)23-12-6-7-13-24(23)32-19-20-8-2-1-3-9-20/h1-13,27H,14-19H2
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| InChIKey |
NNFABBAAEQFFAN-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