General Information of the Compound
| Compound ID |
CP0427738
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| Compound Name |
2-{1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-chloro-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C20H19ClN4O6
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| Molecular Weight |
446.847
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| Canonical SMILES |
CC(C)(C)c1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)no1
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| InChI |
InChI=1S/C20H19ClN4O6/c1-19(2,3)16-22-13(23-31-16)8-25-14(26)7-20(18(25)30)11-6-10(21)4-5-12(11)24(17(20)29)9-15(27)28/h4-6H,7-9H2,1-3H3,(H,27,28)
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| InChIKey |
SYZBWTOXLKZZNP-UHFFFAOYSA-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