General Information of the Compound
| Compound ID |
CP0944168
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| Compound Name |
4-{[1-(5-Cyanopyrazin-2-yl)piperidin-4-yl]amino}-1Hpyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C18H18N8O
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| Molecular Weight |
362.397
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| Canonical SMILES |
N#Cc1cnc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)cn1
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| InChI |
InChI=1S/C18H18N8O/c19-7-12-8-23-15(10-22-12)26-5-2-11(3-6-26)25-16-13-1-4-21-18(13)24-9-14(16)17(20)27/h1,4,8-11H,2-3,5-6H2,(H2,20,27)(H2,21,24,25)
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| InChIKey |
SUPNBZLSUPXLAF-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