General Information of the Compound
| Compound ID |
CP0389669
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| Compound Name |
2-nitro-4-[[6-nitro-2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]phenol
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| Structure |
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| Formula |
C21H12F3N5O5
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| Molecular Weight |
471.351
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| Canonical SMILES |
Oc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C21H12F3N5O5/c22-21(23,24)12-3-1-2-11(8-12)19-26-16-6-5-14(28(31)32)10-15(16)20(27-19)25-13-4-7-18(30)17(9-13)29(33)34/h1-10,30H,(H,25,26,27)
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| InChIKey |
FSNCBCISRCCRAI-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