General Information of the Compound
| Compound ID |
CP0447298
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-bromophenyl)thiourea
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| Structure |
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| Formula |
C21H15Br2N5S
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| Molecular Weight |
529.261
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| Canonical SMILES |
Brc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C21H15Br2N5S/c22-13-4-6-15(7-5-13)27-21(29)28-17-8-9-19-18(11-17)20(25-12-24-19)26-16-3-1-2-14(23)10-16/h1-12H,(H,24,25,26)(H2,27,28,29)
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| InChIKey |
DTIQXKPOEJQPMK-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