General Information of the Compound
| Compound ID |
CP0454552
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(3-chloro-4-fluorophenyl)thiourea
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| Structure |
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| Formula |
C21H14BrClFN5S
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| Molecular Weight |
502.8
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| Canonical SMILES |
Fc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1Cl
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| InChI |
InChI=1S/C21H14BrClFN5S/c22-12-2-1-3-13(8-12)27-20-16-9-14(5-7-19(16)25-11-26-20)28-21(30)29-15-4-6-18(24)17(23)10-15/h1-11H,(H,25,26,27)(H2,28,29,30)
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| InChIKey |
LQHGLEHALIXLBR-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