General Information of the Compound
| Compound ID |
CP0356086
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| Compound Name |
2-chloro-4-[(4R,5R)-4-hydroxy-3,3,5-trimethyl-2-oxopyrrolidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C14H15ClN2O2
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| Molecular Weight |
278.739
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| Canonical SMILES |
C[C@@H]1[C@H](O)C(C)(C)C(=O)N1c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C14H15ClN2O2/c1-8-12(18)14(2,3)13(19)17(8)10-5-4-9(7-16)11(15)6-10/h4-6,8,12,18H,1-3H3/t8-,12+/m1/s1
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| InChIKey |
RAPWOVFIXOTCEX-PELKAZGASA-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