General Information of the Compound
| Compound ID |
CP0458416
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| Compound Name |
1-[4-(3-chloroanilino)quinazolin-6-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea
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| Structure |
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| Formula |
C18H11ClF3N7S2
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| Molecular Weight |
481.916
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| Canonical SMILES |
FC(F)(F)c1nnc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)s1
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| InChI |
InChI=1S/C18H11ClF3N7S2/c19-9-2-1-3-10(6-9)25-14-12-7-11(4-5-13(12)23-8-24-14)26-16(30)27-17-29-28-15(31-17)18(20,21)22/h1-8H,(H,23,24,25)(H2,26,27,29,30)
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| InChIKey |
XRVXJKUSXFOYNQ-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