General Information of the Compound
| Compound ID |
CP0407875
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-pyridin-3-ylthiourea
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| Structure |
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| Formula |
C20H15BrN6S
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| Molecular Weight |
451.353
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccnc4)cc23)c1
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| InChI |
InChI=1S/C20H15BrN6S/c21-13-3-1-4-14(9-13)25-19-17-10-15(6-7-18(17)23-12-24-19)26-20(28)27-16-5-2-8-22-11-16/h1-12H,(H,23,24,25)(H2,26,27,28)
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| InChIKey |
VAWVBJKPOCZCGO-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