General Information of the Compound
| Compound ID |
CP0313585
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| Compound Name |
6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C18H16F3N3O3
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| Molecular Weight |
379.338
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| Canonical SMILES |
COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
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| InChI |
InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)
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| InChIKey |
OGYXEJMRZBYWMY-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