General Information of the Compound
| Compound ID |
CP0542773
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| Compound Name |
4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C20H24FN3O2
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| Molecular Weight |
357.429
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| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)N1CCC(CC1)c1ccncc1F
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| InChI |
InChI=1S/C20H24FN3O2/c1-14(16-4-3-5-17(12-16)26-2)23-20(25)24-10-7-15(8-11-24)18-6-9-22-13-19(18)21/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1
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| InChIKey |
VTESKQIPCVPXGS-CQSZACIVSA-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