General Information of the Compound
| Compound ID |
CP0454553
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| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]thiourea
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| Structure |
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| Formula |
C22H14BrF4N5S
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| Molecular Weight |
536.352
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| Canonical SMILES |
Fc1c(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cccc1C(F)(F)F
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| InChI |
InChI=1S/C22H14BrF4N5S/c23-12-3-1-4-13(9-12)30-20-15-10-14(7-8-17(15)28-11-29-20)31-21(33)32-18-6-2-5-16(19(18)24)22(25,26)27/h1-11H,(H,28,29,30)(H2,31,32,33)
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| InChIKey |
SDVVARQBHMKKJU-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