General Information of the Compound
| Compound ID |
CP0472788
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| Compound Name |
4-[[4-[(4-bromophenyl)methoxy]pyrimidin-2-yl]amino]benzonitrile
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| Structure |
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| Formula |
C18H13BrN4O
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| Molecular Weight |
381.233
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| Canonical SMILES |
Brc1ccc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
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| InChI |
InChI=1S/C18H13BrN4O/c19-15-5-1-14(2-6-15)12-24-17-9-10-21-18(23-17)22-16-7-3-13(11-20)4-8-16/h1-10H,12H2,(H,21,22,23)
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| InChIKey |
AYPRMFWUBUDINJ-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