General Information of the Compound
| Compound ID |
CP0764666
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| Compound Name |
3-(2-Ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
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| Structure |
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| Formula |
C22H19N5
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| Molecular Weight |
353.429
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| Canonical SMILES |
CCN1CCc2cc(-c3cnc4[nH]c5cnc(C#N)cc5c4c3)ccc2C1
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| InChI |
InChI=1S/C22H19N5/c1-2-27-6-5-15-7-14(3-4-16(15)13-27)17-8-20-19-9-18(10-23)24-12-21(19)26-22(20)25-11-17/h3-4,7-9,11-12H,2,5-6,13H2,1H3,(H,25,26)
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| InChIKey |
XWNUTLMQEJHZAD-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