General Information of the Compound
| Compound ID |
CP0528068
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| Compound Name |
(4S)-4-({[4-(4-Methoxybutyl)-6-phenylpyridin-2-yl]carbonyl}-amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C32H44N4O7
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| Molecular Weight |
596.725
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCOC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H44N4O7/c1-3-4-9-21-43-32(41)36-18-16-35(17-19-36)31(40)26(14-15-29(37)38)34-30(39)28-23-24(11-8-10-20-42-2)22-27(33-28)25-12-6-5-7-13-25/h5-7,12-13,22-23,26H,3-4,8-11,14-21H2,1-2H3,(H,34,39)(H,37,38)/t26-/m0/s1
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| InChIKey |
GPKUIOCIRFBKST-SANMLTNESA-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