General Information of the Compound
| Compound ID |
CP0552581
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| Compound Name |
[(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
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| Structure |
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| Formula |
C23H23ClN4O4S
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| Molecular Weight |
486.981
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| Canonical SMILES |
Cc1nc(no1)-c1ccc(Cl)c(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N1CCc2ccccc12
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| InChI |
InChI=1S/C23H23ClN4O4S/c1-15-25-22(26-32-15)17-8-9-19(24)21(13-17)33(30,31)27-11-4-6-18(14-27)23(29)28-12-10-16-5-2-3-7-20(16)28/h2-3,5,7-9,13,18H,4,6,10-12,14H2,1H3/t18-/m1/s1
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| InChIKey |
NMLBFEKQKOLHGU-GOSISDBHSA-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