General Information of the Compound
| Compound ID |
CP0529897
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| Compound Name |
N-(3-bromophenyl)-6,7-dibutoxyquinazolin-4-amine
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| Structure |
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| Formula |
C22H26BrN3O2
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| Molecular Weight |
444.373
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| Canonical SMILES |
CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCC
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| InChI |
InChI=1S/C22H26BrN3O2/c1-3-5-10-27-20-13-18-19(14-21(20)28-11-6-4-2)24-15-25-22(18)26-17-9-7-8-16(23)12-17/h7-9,12-15H,3-6,10-11H2,1-2H3,(H,24,25,26)
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| InChIKey |
LTADRFUOHQNUCZ-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