General Information of the Compound
| Compound ID |
CP0448345
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| Compound Name |
2-[4-[4-(2,4-dimethoxyanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccccc23)N2CCN(CCO)CC2)c(OC)c1
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| InChI |
InChI=1S/C22H27N5O3/c1-29-16-7-8-19(20(15-16)30-2)23-21-17-5-3-4-6-18(17)24-22(25-21)27-11-9-26(10-12-27)13-14-28/h3-8,15,28H,9-14H2,1-2H3,(H,23,24,25)
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| InChIKey |
RTAPFZXOLWMKAT-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