General Information of the Compound
| Compound ID |
CP0354461
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| Compound Name |
hexyl (2R)-2-benzamido-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxopentanoate
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| Structure |
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| Formula |
C32H45N3O4
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| Molecular Weight |
535.729
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| Canonical SMILES |
CCCCCCOC(=O)[C@@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C32H45N3O4/c1-2-3-4-11-24-39-32(38)29(34-31(37)28-14-9-6-10-15-28)16-17-30(36)33-21-18-26-19-22-35(23-20-26)25-27-12-7-5-8-13-27/h5-10,12-15,26,29H,2-4,11,16-25H2,1H3,(H,33,36)(H,34,37)/t29-/m1/s1
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| InChIKey |
XFEJPTLRXOZZDA-GDLZYMKVSA-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