General Information of the Compound
| Compound ID |
CP0764664
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| Compound Name |
3-(5-Ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
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| Structure |
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| Formula |
C20H17N5S
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| Molecular Weight |
359.458
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| Canonical SMILES |
CCN1CCc2sc(-c3cnc4[nH]c5cnc(C#N)cc5c4c3)cc2C1
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| InChI |
InChI=1S/C20H17N5S/c1-2-25-4-3-18-13(11-25)6-19(26-18)12-5-16-15-7-14(8-21)22-10-17(15)24-20(16)23-9-12/h5-7,9-10H,2-4,11H2,1H3,(H,23,24)
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| InChIKey |
GCSYCHSHITWPIH-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