General Information of the Compound
| Compound ID |
CP0484551
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| Compound Name |
US8722896, (-)-(3R)-1-Benzyl-N-(3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C26H34N2O3/c1-20(2)16-28(18-22-9-10-24-25(15-22)31-14-6-13-30-24)26(29)23-11-12-27(19-23)17-21-7-4-3-5-8-21/h3-5,7-10,15,20,23H,6,11-14,16-19H2,1-2H3/t23-/m1/s1
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| InChIKey |
QAAYNFSQPRQNFJ-HSZRJFAPSA-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