General Information of the Compound
| Compound ID |
CP0644033
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| Compound Name |
4-{[(3S,4R)-1-(5-Cyanopyridin-2-yl)-3-fluoropiperidin-4-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C19H18FN7O
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| Molecular Weight |
379.399
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| Canonical SMILES |
N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1
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| InChI |
InChI=1S/C19H18FN7O/c20-14-10-27(16-2-1-11(7-21)8-24-16)6-4-15(14)26-17-12-3-5-23-19(12)25-9-13(17)18(22)28/h1-3,5,8-9,14-15H,4,6,10H2,(H2,22,28)(H2,23,25,26)/t14-,15+/m0/s1
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| InChIKey |
OHNNRNYUHNGDNO-LSDHHAIUSA-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