General Information of the Compound
| Compound ID |
CP0571313
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| Compound Name |
(2R)-N-[(1R)-1-(2-chloro-5-methoxyphenyl)ethyl]-4-(3-fluoropyridin-4-yl)-2-methylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C20H24ClFN4O2
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| Molecular Weight |
406.889
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| Canonical SMILES |
COc1ccc(Cl)c(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F
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| InChI |
InChI=1S/C20H24ClFN4O2/c1-13-12-25(19-6-7-23-11-18(19)22)8-9-26(13)20(27)24-14(2)16-10-15(28-3)4-5-17(16)21/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,24,27)/t13-,14-/m1/s1
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| InChIKey |
AMENJZSFYJIYDH-ZIAGYGMSSA-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