General Information of the Compound
| Compound ID |
CP0535799
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-(2-morpholin-4-ylethyl)thiourea
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| Structure |
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| Formula |
C21H23BrN6OS
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| Molecular Weight |
487.427
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1
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| InChI |
InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)
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| InChIKey |
JHRFCGXRLWMAKU-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