General Information of the Compound
| Compound ID |
CP0416760
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| Compound Name |
2-[4-[4-(2-methoxyanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
COc1ccccc1Nc1nc(nc2ccccc12)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C21H25N5O2/c1-28-19-9-5-4-8-18(19)22-20-16-6-2-3-7-17(16)23-21(24-20)26-12-10-25(11-13-26)14-15-27/h2-9,27H,10-15H2,1H3,(H,22,23,24)
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| InChIKey |
RBEVURBSYXLDAT-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