General Information of the Compound
| Compound ID |
CP0242579
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| Compound Name |
(2S,5R)-5-[4-[(3-cyanophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C19H19N3O2/c20-11-13-2-1-3-14(10-13)12-24-16-6-4-15(5-7-16)17-8-9-18(22-17)19(21)23/h1-7,10,17-18,22H,8-9,12H2,(H2,21,23)/t17-,18+/m1/s1
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| InChIKey |
CWOXSHPBHOVMRT-MSOLQXFVSA-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