General Information of the Compound
| Compound ID |
CP0573016
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| Compound Name |
6-fluoro-N-methyl-4-oxo-3-(2-phenylethyl)-2H-quinazoline-1-carbothioamide
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| Formula |
C18H18FN3OS
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| Molecular Weight |
343.427
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| Canonical SMILES |
CNC(=S)N1CN(CCc2ccccc2)C(=O)c2cc(F)ccc12
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| InChI |
InChI=1S/C18H18FN3OS/c1-20-18(24)22-12-21(10-9-13-5-3-2-4-6-13)17(23)15-11-14(19)7-8-16(15)22/h2-8,11H,9-10,12H2,1H3,(H,20,24)
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| InChIKey |
WVLYQUZMHQKAFJ-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