General Information of the Compound
| Compound ID |
CP0434676
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| Compound Name |
5-chloro-1-[1-(3-cyanophenyl)ethyl]-2-iminopyridine-3-carboxamide
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| Structure |
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| Formula |
C15H13ClN4O
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| Molecular Weight |
300.749
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| Canonical SMILES |
CC(c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N
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| InChI |
InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)
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| InChIKey |
CDJPHTNUARAVMH-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