General Information of the Compound
| Compound ID |
CP0452141
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| Compound Name |
4-N-(3-bromophenyl)-6-N-[(2-methoxyphenyl)methyl]quinazoline-4,6-diamine
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| Structure |
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| Formula |
C22H19BrN4O
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| Molecular Weight |
435.325
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| Canonical SMILES |
COc1ccccc1CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C22H19BrN4O/c1-28-21-8-3-2-5-15(21)13-24-17-9-10-20-19(12-17)22(26-14-25-20)27-18-7-4-6-16(23)11-18/h2-12,14,24H,13H2,1H3,(H,25,26,27)
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| InChIKey |
HDJABPWIIADTPQ-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