General Information of the Compound
| Compound ID |
CP0430536
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| Compound Name |
N-(4-iodophenyl)-2-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C20H13IN4O2
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| Molecular Weight |
468.254
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nc(Nc2ccc(I)cc2)c2ccccc2n1
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| InChI |
InChI=1S/C20H13IN4O2/c21-14-8-10-15(11-9-14)22-20-17-6-1-2-7-18(17)23-19(24-20)13-4-3-5-16(12-13)25(26)27/h1-12H,(H,22,23,24)
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| InChIKey |
MDZAXBHLQWLEEY-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