General Information of the Compound
| Compound ID |
CP0579036
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| Compound Name |
(2R)-4-(2-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C20H25FN4O2
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| Molecular Weight |
372.444
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| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccnc(F)c1
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| InChI |
InChI=1S/C20H25FN4O2/c1-14-13-24(17-7-8-22-19(21)12-17)9-10-25(14)20(26)23-15(2)16-5-4-6-18(11-16)27-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1
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| InChIKey |
AMOHQDAAGKYBKL-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