General Information of the Compound
| Compound ID |
CP0528619
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| Compound Name |
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-N,N-dimethylisonicotinamide
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| Structure |
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| Formula |
C22H31N5O4
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| Molecular Weight |
429.521
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| Canonical SMILES |
CN(C)C(=O)c1ccnc(c1)-c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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| InChI |
InChI=1S/C22H31N5O4/c1-27(2)22(29)17-11-12-23-18(13-17)20-24-21(31-26-20)16(14-19(28)25-30)10-6-9-15-7-4-3-5-8-15/h11-13,15-16,30H,3-10,14H2,1-2H3,(H,25,28)/t16-/m1/s1
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| InChIKey |
VUBHKYSJVINZSX-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