General Information of the Compound
| Compound ID |
CP0500969
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| Compound Name |
N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-N',N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C21H25ClFN5O2
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| Molecular Weight |
433.915
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN(C)C
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| InChI |
InChI=1S/C21H25ClFN5O2/c1-28(2)8-6-24-7-9-30-20-11-15-18(12-19(20)29-3)25-13-26-21(15)27-14-4-5-17(23)16(22)10-14/h4-5,10-13,24H,6-9H2,1-3H3,(H,25,26,27)
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| InChIKey |
NGFCHICVVRPPGH-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