General Information of the Compound
| Compound ID |
CP0482661
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| Compound Name |
N-[3-[[6-nitro-2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C23H16F3N5O3
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| Molecular Weight |
467.407
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| Canonical SMILES |
CC(=O)Nc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C23H16F3N5O3/c1-13(32)27-16-6-3-7-17(11-16)28-22-19-12-18(31(33)34)8-9-20(19)29-21(30-22)14-4-2-5-15(10-14)23(24,25)26/h2-12H,1H3,(H,27,32)(H,28,29,30)
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| InChIKey |
YQXGMVVYEPQHMC-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