General Information of the Compound
| Compound ID |
CP0399114
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| Compound Name |
2-(2-aminopyrimidin-5-yl)-3-(3-chloro-4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C18H10ClFN6
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| Molecular Weight |
364.771
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| Canonical SMILES |
Nc1ncc(cn1)-c1[nH]c2ccc(nc2c1-c1ccc(F)c(Cl)c1)C#N
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| InChI |
InChI=1S/C18H10ClFN6/c19-12-5-9(1-3-13(12)20)15-16(10-7-23-18(22)24-8-10)26-14-4-2-11(6-21)25-17(14)15/h1-5,7-8,26H,(H2,22,23,24)
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| InChIKey |
STQVRIVQOZWXBG-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