General Information of the Compound
| Compound ID |
CP0501061
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| Compound Name |
(3R)-6-cyclohexyl-3-{3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
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| Structure |
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| Formula |
C21H31N5O3
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| Molecular Weight |
401.511
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| Canonical SMILES |
CN(C)c1ccc(cn1)-c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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| InChI |
InChI=1S/C21H31N5O3/c1-26(2)18-12-11-17(14-22-18)20-23-21(29-25-20)16(13-19(27)24-28)10-6-9-15-7-4-3-5-8-15/h11-12,14-16,28H,3-10,13H2,1-2H3,(H,24,27)/t16-/m1/s1
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| InChIKey |
XGZATWGYFADJDC-MRXNPFEDSA-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