General Information of the Compound
| Compound ID |
CP0412870
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| Compound Name |
1-[4-(3-chloroanilino)quinazolin-6-yl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
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| Structure |
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| Formula |
C19H12ClF3N6S2
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| Molecular Weight |
480.928
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| Canonical SMILES |
FC(F)(F)c1csc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)n1
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| InChI |
InChI=1S/C19H12ClF3N6S2/c20-10-2-1-3-11(6-10)26-16-13-7-12(4-5-14(13)24-9-25-16)27-17(30)29-18-28-15(8-31-18)19(21,22)23/h1-9H,(H,24,25,26)(H2,27,28,29,30)
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| InChIKey |
ULKJBEWLFAYGPT-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