General Information of the Compound
| Compound ID |
CP0287622
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| Compound Name |
(R)-N-(1-(3,5-diethoxy-4-fluorobenzyl)azepan-4-yl)-5-methylnicotinamide
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| Structure |
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| Formula |
C24H32FN3O3
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| Molecular Weight |
429.536
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| Canonical SMILES |
CCOc1cc(CN2CCC[C@H](CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1F
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| InChI |
InChI=1S/C24H32FN3O3/c1-4-30-21-12-18(13-22(23(21)25)31-5-2)16-28-9-6-7-20(8-10-28)27-24(29)19-11-17(3)14-26-15-19/h11-15,20H,4-10,16H2,1-3H3,(H,27,29)/t20-/m1/s1
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| InChIKey |
ODABXLCSMKWJEM-HXUWFJFHSA-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