General Information of the Compound
| Compound ID |
CP0882435
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| Compound Name |
N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-4-((6-(methylthio)pyridin-3-yl)methyl)-2-naphthamide
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| Structure |
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| Formula |
C25H28N2O3S
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| Molecular Weight |
436.577
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(SC)nc2)c2ccccc12
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| InChI |
InChI=1S/C25H28N2O3S/c1-30-24-19-8-4-3-7-18(19)17(13-16-11-12-23(31-2)26-15-16)14-20(24)25(29)27-21-9-5-6-10-22(21)28/h3-4,7-8,11-12,14-15,21-22,28H,5-6,9-10,13H2,1-2H3,(H,27,29)/t21-,22-/m0/s1
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| InChIKey |
RCHJNCWGFRYRLN-VXKWHMMOSA-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