General Information of the Compound
| Compound ID |
CP0148232
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| Compound Name |
methyl (2S,3S)-1-(4-cyanonaphthalen-1-yl)-2-methylpyrrolidine-3-carboxylate
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| Structure |
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| Formula |
C18H18N2O2
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| Molecular Weight |
294.354
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| Canonical SMILES |
COC(=O)[C@H]1CCN([C@H]1C)c1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C18H18N2O2/c1-12-14(18(21)22-2)9-10-20(12)17-8-7-13(11-19)15-5-3-4-6-16(15)17/h3-8,12,14H,9-10H2,1-2H3/t12-,14-/m0/s1
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| InChIKey |
SFTFIXSWTCMWCF-JSGCOSHPSA-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