General Information of the Compound
| Compound ID |
CP0529039
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| Compound Name |
4-[(1S,3S)-3-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H22ClN3O4S
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| Molecular Weight |
447.944
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| Canonical SMILES |
CC(Oc1cccc(Cl)c1)c1nc(no1)[C@H]1[C@H](c2ccc(cc2)S(N)(=O)=O)C1(C)C
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| InChI |
InChI=1S/C21H22ClN3O4S/c1-12(28-15-6-4-5-14(22)11-15)20-24-19(25-29-20)18-17(21(18,2)3)13-7-9-16(10-8-13)30(23,26)27/h4-12,17-18H,1-3H3,(H2,23,26,27)/t12?,17-,18+/m0/s1
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| InChIKey |
PRKVOXXGZQCNQX-OTLVQASYSA-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