General Information of the Compound
| Compound ID |
CP0465115
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| Compound Name |
4-[(3aR,4R,6aS)-4-hydroxy-1-oxo-octahydrocyclopenta[c]pyrrol-2-yl]-2-chloro-3-methylbenzonitrile
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| Structure |
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| Formula |
C15H15ClN2O2
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| Molecular Weight |
290.75
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| Canonical SMILES |
Cc1c(Cl)c(ccc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1=O)C#N
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| InChI |
InChI=1S/C15H15ClN2O2/c1-8-12(4-2-9(6-17)14(8)16)18-7-11-10(15(18)20)3-5-13(11)19/h2,4,10-11,13,19H,3,5,7H2,1H3/t10-,11-,13+/m0/s1
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| InChIKey |
CUPZZXGHRQKNST-GMXVVIOVSA-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