General Information of the Compound
| Compound ID |
CP0549692
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| Compound Name |
6-N-[(5-bromothiophen-2-yl)methyl]-4-N-(3-chlorophenyl)quinazoline-4,6-diamine
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| Structure |
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| Formula |
C19H14BrClN4S
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| Molecular Weight |
445.773
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NCc4ccc(Br)s4)cc23)c1
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| InChI |
InChI=1S/C19H14BrClN4S/c20-18-7-5-15(26-18)10-22-13-4-6-17-16(9-13)19(24-11-23-17)25-14-3-1-2-12(21)8-14/h1-9,11,22H,10H2,(H,23,24,25)
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| InChIKey |
XXDWXAUQFIQZEU-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