General Information of the Compound
| Compound ID |
CP0407945
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-methylthiourea
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| Structure |
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| Formula |
C16H14BrN5S
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| Molecular Weight |
388.294
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| Canonical SMILES |
CNC(=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C16H14BrN5S/c1-18-16(23)22-12-5-6-14-13(8-12)15(20-9-19-14)21-11-4-2-3-10(17)7-11/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
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| InChIKey |
QTZSYEFHGBRFQD-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