General Information of the Compound
| Compound ID |
CP0513916
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| Compound Name |
(4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}amino)pentanoic Acid
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| Structure |
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| Formula |
C37H52N6O6
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| Molecular Weight |
676.859
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| Canonical SMILES |
CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C37H52N6O6/c1-2-3-4-10-25-49-37(48)43-23-21-42(22-24-43)36(47)31(13-14-34(44)45)39-35(46)33-27-30(26-32(38-33)28-11-6-5-7-12-28)41-19-15-29(16-20-41)40-17-8-9-18-40/h5-7,11-12,26-27,29,31H,2-4,8-10,13-25H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
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| InChIKey |
GTDLVZKVJAJGRX-HKBQPEDESA-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