General Information of the Compound
| Compound ID |
CP0541451
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| Compound Name |
6-nitro-N-(4-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C21H12F3N5O4
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| Molecular Weight |
455.352
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H12F3N5O4/c22-21(23,24)13-3-1-2-12(10-13)19-26-18-9-8-16(29(32)33)11-17(18)20(27-19)25-14-4-6-15(7-5-14)28(30)31/h1-11H,(H,25,26,27)
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| InChIKey |
DSZOFJXPHBIQQF-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