General Information of the Compound
| Compound ID |
CP0339987
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| Compound Name |
(2S,5R)-5-[4-(2-cyanophenoxy)phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(Oc2ccccc2C#N)cc1
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| InChI |
InChI=1S/C18H17N3O2/c19-11-13-3-1-2-4-17(13)23-14-7-5-12(6-8-14)15-9-10-16(21-15)18(20)22/h1-8,15-16,21H,9-10H2,(H2,20,22)/t15-,16+/m1/s1
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| InChIKey |
JWQHIANBWFKDRY-CVEARBPZSA-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