General Information of the Compound
| Compound ID |
CP0579459
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| Compound Name |
(2R)-4-(3-fluoropyridin-4-yl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H23FN6O
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| Molecular Weight |
382.443
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| Canonical SMILES |
C[C@@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)c1cccn2nccc12
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| InChI |
InChI=1S/C20H23FN6O/c1-14-13-25(19-5-7-22-12-17(19)21)10-11-26(14)20(28)24-15(2)16-4-3-9-27-18(16)6-8-23-27/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,28)/t14-,15-/m1/s1
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| InChIKey |
XTFGBSSJYGEUTQ-HUUCEWRRSA-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
Protein ID: PT01258, cGMP-dependent protein kinase 1
Protein ID: PT00890, Rho-associated protein kinase 2