General Information of the Compound
| Compound ID |
CP0163544
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| Compound Name |
(2S,5R)-5-[4-[(1R)-1-phenylethoxy]phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C19H22N2O2
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| Molecular Weight |
310.397
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| Canonical SMILES |
C[C@@H](Oc1ccc(cc1)[C@H]1CC[C@H](N1)C(N)=O)c1ccccc1
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| InChI |
InChI=1S/C19H22N2O2/c1-13(14-5-3-2-4-6-14)23-16-9-7-15(8-10-16)17-11-12-18(21-17)19(20)22/h2-10,13,17-18,21H,11-12H2,1H3,(H2,20,22)/t13-,17-,18+/m1/s1
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| InChIKey |
VMFXDXPCSJJLLK-XWIAVFTESA-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