General Information of the Compound
| Compound ID |
CP0093361
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| Compound Name |
(S)-N-(1-(4-chloro-3-ethoxybenzyl)azepan-4-yl)-5-methylnicotinamide
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| Structure |
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| Formula |
C22H28ClN3O2
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| Molecular Weight |
401.938
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| Canonical SMILES |
CCOc1cc(CN2CCC[C@@H](CC2)NC(=O)c2cncc(C)c2)ccc1Cl
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| InChI |
InChI=1S/C22H28ClN3O2/c1-3-28-21-12-17(6-7-20(21)23)15-26-9-4-5-19(8-10-26)25-22(27)18-11-16(2)13-24-14-18/h6-7,11-14,19H,3-5,8-10,15H2,1-2H3,(H,25,27)/t19-/m0/s1
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| InChIKey |
QYPIBWMLKDIVCA-IBGZPJMESA-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