General Information of the Compound
| Compound ID |
CP0082358
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| Compound Name |
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C20H20ClFN4O
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| Molecular Weight |
386.858
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1
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| InChI |
InChI=1S/C20H20ClFN4O/c1-27-18-10-17-14(9-13(18)11-26-7-2-3-8-26)20(24-12-23-17)25-16-6-4-5-15(21)19(16)22/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,23,24,25)
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| InChIKey |
QAAOTANJKRXNSC-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