General Information of the Compound
| Compound ID |
CP0474308
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(3-bromoanilino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C23H14BrF6N5S
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| Molecular Weight |
586.359
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H14BrF6N5S/c24-14-2-1-3-15(9-14)33-20-18-10-16(4-5-19(18)31-11-32-20)34-21(36)35-17-7-12(22(25,26)27)6-13(8-17)23(28,29)30/h1-11H,(H,31,32,33)(H2,34,35,36)
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| InChIKey |
OQOMVWMLNCHSRZ-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