General Information of the Compound
| Compound ID |
CP0407944
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-hydroxyphenyl)thiourea
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| Structure |
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| Formula |
C21H16BrN5OS
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| Molecular Weight |
466.364
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| Canonical SMILES |
Oc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C21H16BrN5OS/c22-13-2-1-3-15(10-13)25-20-18-11-16(6-9-19(18)23-12-24-20)27-21(29)26-14-4-7-17(28)8-5-14/h1-12,28H,(H,23,24,25)(H2,26,27,29)
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| InChIKey |
RHWWACRDHYXVHE-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