General Information of the Compound
| Compound ID |
CP0876097
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| Compound Name |
4-((6-ethylpyridin-3-yl)methyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-2-naphthamide
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| Structure |
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| Formula |
C26H30N2O3
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| Molecular Weight |
418.537
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| Canonical SMILES |
CCc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1
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| InChI |
InChI=1S/C26H30N2O3/c1-3-19-13-12-17(16-27-19)14-18-15-22(25(31-2)21-9-5-4-8-20(18)21)26(30)28-23-10-6-7-11-24(23)29/h4-5,8-9,12-13,15-16,23-24,29H,3,6-7,10-11,14H2,1-2H3,(H,28,30)/t23-,24-/m0/s1
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| InChIKey |
WALYQFDLHVSPQH-ZEQRLZLVSA-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