General Information of the Compound
| Compound ID |
CP0769320
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| Compound Name |
3-(6-(Piperidin-1-ylmethyl)pyridin-3-yl)-9H-pyrrolo[2,3-b:5,4-c']-dipyridine-6-carbonitrile
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| Structure |
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| Formula |
C22H20N6
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| Molecular Weight |
368.444
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| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)nc3)cc12
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| InChI |
InChI=1S/C22H20N6/c23-10-18-9-19-20-8-16(12-26-22(20)27-21(19)13-25-18)15-4-5-17(24-11-15)14-28-6-2-1-3-7-28/h4-5,8-9,11-13H,1-3,6-7,14H2,(H,26,27)
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| InChIKey |
BOIVMJXJOVNQQN-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