General Information of the Compound
| Compound ID |
CP0229715
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| Compound Name |
(R)-N-(1-(3-ethoxy-4-methylbenzyl)azepan-4-yl)-5-methylnicotinamide
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
CCOc1cc(CN2CCC[C@H](CC2)NC(=O)c2cncc(C)c2)ccc1C
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| InChI |
InChI=1S/C23H31N3O2/c1-4-28-22-13-19(8-7-18(22)3)16-26-10-5-6-21(9-11-26)25-23(27)20-12-17(2)14-24-15-20/h7-8,12-15,21H,4-6,9-11,16H2,1-3H3,(H,25,27)/t21-/m1/s1
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| InChIKey |
IWMGBKBZSBHXDP-OAQYLSRUSA-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