General Information of the Compound
| Compound ID |
CP0427657
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-2-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C18H9ClFN5
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| Molecular Weight |
349.756
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1c([nH]c2ccc(nc12)C#N)-c1cncnc1
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| InChI |
InChI=1S/C18H9ClFN5/c19-13-5-10(1-3-14(13)20)16-17(11-7-22-9-23-8-11)25-15-4-2-12(6-21)24-18(15)16/h1-5,7-9,25H
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| InChIKey |
ACJHDNQLSVYCSQ-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