General Information of the Compound
Compound ID |
CP0908532
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Compound Name |
4-((6-chloropyridin-3-yl)methyl)-1-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-2-naphthamide
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Structure |
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Formula |
C25H27ClN2O2
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Molecular Weight |
422.956
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Canonical SMILES |
CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12
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InChI |
InChI=1S/C25H27ClN2O2/c1-2-18-20-8-4-3-7-19(20)17(13-16-11-12-24(26)27-15-16)14-21(18)25(30)28-22-9-5-6-10-23(22)29/h3-4,7-8,11-12,14-15,22-23,29H,2,5-6,9-10,13H2,1H3,(H,28,30)/t22-,23-/m0/s1
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InChIKey |
UMEFIVSINWKUBU-GOTSBHOMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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