General Information of the Compound
| Compound ID |
CP0561533
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2,4-dichlorophenyl)thiourea
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| Structure |
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| Formula |
C21H14BrCl2N5S
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| Molecular Weight |
519.255
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| Canonical SMILES |
Clc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(Cl)c1
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| InChI |
InChI=1S/C21H14BrCl2N5S/c22-12-2-1-3-14(8-12)27-20-16-10-15(5-7-18(16)25-11-26-20)28-21(30)29-19-6-4-13(23)9-17(19)24/h1-11H,(H,25,26,27)(H2,28,29,30)
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| InChIKey |
LGMCNQXMZUITBG-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