General Information of the Compound
| Compound ID |
CP0861391
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| Compound Name |
1-(allyloxy)-4-((6-chloropyridin-3-yl)methyl)-N-((1S,2S)-2-hydroxycyclohexyl)-2-naphthamide
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| Structure |
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| Formula |
C26H27ClN2O3
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| Molecular Weight |
450.966
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| Canonical SMILES |
C=CCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12
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| InChI |
InChI=1S/C26H27ClN2O3/c1-2-13-32-25-20-8-4-3-7-19(20)18(14-17-11-12-24(27)28-16-17)15-21(25)26(31)29-22-9-5-6-10-23(22)30/h2-4,7-8,11-12,15-16,22-23,30H,1,5-6,9-10,13-14H2,(H,29,31)/t22-,23-/m0/s1
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| InChIKey |
JRAPXDQWQMIZON-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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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